/usr/share/cp2k/GTH_BASIS_SETS is in cp2k-data 2.6.2-3.
This file is owned by root:root, with mode 0o644.
The actual contents of the file can be viewed below.
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1422 1423 1424 1425 1426 1427 1428 1429 1430 1431 1432 1433 1434 1435 1436 1437 1438 1439 1440 1441 1442 1443 1444 1445 1446 1447 1448 1449 1450 1451 1452 1453 1454 1455 1456 1457 1458 1459 1460 1461 1462 1463 1464 1465 1466 1467 1468 1469 1470 1471 1472 1473 1474 1475 1476 1477 1478 1479 1480 1481 1482 1483 1484 1485 1486 1487 1488 1489 1490 1491 1492 1493 1494 1495 1496 1497 1498 1499 1500 1501 1502 1503 1504 1505 1506 1507 1508 1509 1510 1511 1512 1513 1514 1515 1516 1517 1518 1519 1520 1521 1522 1523 1524 1525 1526 1527 1528 1529 1530 1531 1532 1533 1534 1535 1536 1537 1538 1539 1540 1541 1542 1543 1544 1545 1546 1547 1548 1549 1550 1551 1552 1553 1554 1555 1556 1557 1558 1559 1560 1561 1562 1563 1564 1565 1566 1567 1568 1569 1570 1571 1572 1573 1574 1575 1576 1577 1578 1579 1580 1581 1582 1583 1584 1585 1586 1587 1588 1589 1590 1591 1592 1593 1594 1595 1596 1597 1598 1599 1600 1601 1602 1603 1604 1605 1606 1607 1608 1609 1610 1611 1612 1613 1614 1615 1616 1617 1618 1619 1620 1621 1622 1623 1624 1625 1626 1627 1628 1629 1630 1631 1632 1633 1634 1635 1636 1637 1638 1639 1640 1641 1642 1643 1644 1645 1646 1647 1648 1649 1650 1651 1652 1653 1654 1655 1656 1657 1658 1659 1660 1661 1662 1663 1664 1665 1666 1667 1668 1669 1670 1671 1672 1673 1674 1675 1676 1677 1678 1679 1680 1681 1682 1683 1684 1685 1686 1687 1688 1689 1690 1691 1692 1693 1694 1695 1696 1697 1698 1699 1700 1701 1702 1703 1704 1705 1706 1707 1708 1709 1710 1711 1712 1713 1714 1715 1716 1717 1718 1719 1720 1721 1722 1723 1724 1725 1726 1727 1728 1729 1730 1731 1732 1733 1734 1735 1736 1737 1738 1739 1740 1741 1742 1743 1744 1745 1746 1747 1748 1749 1750 1751 1752 1753 1754 1755 1756 1757 1758 1759 1760 1761 1762 1763 1764 1765 1766 1767 1768 1769 1770 1771 1772 1773 1774 1775 1776 1777 1778 1779 1780 1781 1782 1783 1784 1785 1786 1787 1788 1789 1790 1791 1792 1793 1794 1795 1796 1797 1798 1799 1800 1801 1802 1803 1804 1805 1806 1807 1808 1809 1810 1811 1812 1813 1814 1815 1816 1817 1818 1819 1820 1821 1822 1823 1824 1825 1826 1827 1828 1829 1830 1831 1832 1833 1834 1835 1836 1837 1838 1839 1840 1841 1842 1843 1844 1845 1846 1847 1848 1849 1850 1851 1852 1853 1854 1855 1856 1857 1858 1859 1860 1861 1862 1863 1864 1865 1866 1867 1868 1869 1870 1871 1872 1873 1874 1875 1876 1877 1878 1879 1880 1881 1882 1883 1884 1885 1886 1887 1888 1889 1890 1891 1892 1893 1894 1895 1896 1897 1898 1899 1900 1901 1902 1903 1904 1905 1906 1907 1908 1909 1910 1911 1912 1913 1914 1915 1916 1917 1918 1919 1920 1921 1922 1923 1924 1925 1926 1927 1928 1929 1930 1931 1932 1933 1934 1935 1936 1937 1938 1939 1940 1941 1942 1943 1944 1945 1946 1947 1948 1949 1950 1951 1952 1953 1954 1955 1956 1957 1958 1959 1960 1961 1962 1963 1964 1965 1966 1967 1968 1969 1970 1971 1972 1973 1974 1975 1976 1977 1978 1979 1980 1981 1982 1983 1984 1985 1986 1987 1988 1989 1990 1991 1992 1993 1994 1995 1996 1997 1998 1999 2000 2001 2002 2003 2004 2005 2006 2007 2008 2009 2010 2011 2012 2013 2014 2015 2016 2017 2018 2019 2020 | H SZV-GTH
1
1 0 0 4 1
8.3744350009 -0.0283380461
1.8058681460 -0.1333810052
0.4852528328 -0.3995676063
0.1658236932 -0.5531027541
#
H DZV-GTH
1
1 0 0 4 2
8.3744350009 -0.0283380461 0.0000000000
1.8058681460 -0.1333810052 0.0000000000
0.4852528328 -0.3995676063 0.0000000000
0.1658236932 -0.5531027541 1.0000000000
#
H DZVP-GTH
2
1 0 0 4 2
8.3744350009 -0.0283380461 0.0000000000
1.8058681460 -0.1333810052 0.0000000000
0.4852528328 -0.3995676063 0.0000000000
0.1658236932 -0.5531027541 1.0000000000
2 1 1 1 1
0.7270000000 1.0000000000
#
H TZVP-GTH
2
1 0 0 5 3
10.8827241585 -0.0167058885 0.0000000000 0.0000000000
3.0968750876 -0.0627538300 0.0000000000 0.0000000000
0.9874518162 -0.1917521975 0.0000000000 0.0000000000
0.3450687533 -0.4173635232 1.0000000000 0.0000000000
0.1492693554 -0.4270508887 0.0000000000 1.0000000000
2 1 1 1 1
0.7270000000 1.0000000000
#
H TZV2P-GTH
2
1 0 0 5 3
10.8827241585 -0.0167058885 0.0000000000 0.0000000000
3.0968750876 -0.0627538300 0.0000000000 0.0000000000
0.9874518162 -0.1917521975 0.0000000000 0.0000000000
0.3450687533 -0.4173635232 1.0000000000 0.0000000000
0.1492693554 -0.4270508887 0.0000000000 1.0000000000
2 1 1 2 2
1.4070000000 1.0000000000 0.0000000000
0.3880000000 0.0000000000 1.0000000000
#
H QZV2P-GTH
2
1 0 0 6 4
12.5350945530 0.0114321687 0.0000000000 0.0000000000 0.0000000000
4.5491539489 0.0344048283 0.0000000000 0.0000000000 0.0000000000
1.6685193606 0.1007746979 0.0000000000 0.0000000000 0.0000000000
0.6523849556 0.2302169182 1.0000000000 0.0000000000 0.0000000000
0.2733011244 0.4067637930 0.0000000000 1.0000000000 0.0000000000
0.1390608890 0.3322841300 0.0000000000 0.0000000000 1.0000000000
2 1 1 2 2
1.4070000000 1.0000000000 0.0000000000
0.3880000000 0.0000000000 1.0000000000
#
H QZV3P-GTH
2
1 0 0 6 4
12.5350945530 0.0114321687 0.0000000000 0.0000000000 0.0000000000
4.5491539489 0.0344048283 0.0000000000 0.0000000000 0.0000000000
1.6685193606 0.1007746979 0.0000000000 0.0000000000 0.0000000000
0.6523849556 0.2302169182 1.0000000000 0.0000000000 0.0000000000
0.2733011244 0.4067637930 0.0000000000 1.0000000000 0.0000000000
0.1390608890 0.3322841300 0.0000000000 0.0000000000 1.0000000000
2 1 1 3 3
2.2920000000 1.0000000000 0.0000000000 0.0000000000
0.8380000000 0.0000000000 1.0000000000 0.0000000000
0.2920000000 0.0000000000 0.0000000000 1.0000000000
#
H aug-DZVP-GTH
4
1 0 0 4 2
8.3744350009 -0.0283380461 0.0000000000
1.8058681460 -0.1333810052 0.0000000000
0.4852528328 -0.3995676063 0.0000000000
0.1658236932 -0.5531027541 1.0000000000
2 1 1 1 1
0.7270000000 1.0000000000
3 0 0 1 1
0.0297400000 1.0000000000
3 1 1 1 1
0.1410000000 1.0000000000
#
H aug-TZVP-GTH
4
1 0 0 5 3
10.8827241585 -0.0167058885 0.0000000000 0.0000000000
3.0968750876 -0.0627538300 0.0000000000 0.0000000000
0.9874518162 -0.1917521975 0.0000000000 0.0000000000
0.3450687533 -0.4173635232 1.0000000000 0.0000000000
0.1492693554 -0.4270508887 0.0000000000 1.0000000000
2 1 1 1 1
0.7270000000 1.0000000000
4 0 0 1 1
0.0252600000 1.0000000000
3 1 1 1 1
0.1020000000 1.0000000000
#
H aug-TZV2P-GTH
4
1 0 0 5 3
10.8827241585 -0.0167058885 0.0000000000 0.0000000000
3.0968750876 -0.0627538300 0.0000000000 0.0000000000
0.9874518162 -0.1917521975 0.0000000000 0.0000000000
0.3450687533 -0.4173635232 1.0000000000 0.0000000000
0.1492693554 -0.4270508887 0.0000000000 1.0000000000
2 1 1 2 2
1.4070000000 1.0000000000 0.0000000000
0.3880000000 0.0000000000 1.0000000000
4 0 0 1 1
0.0252600000 1.0000000000
4 1 1 1 1
0.1020000000 1.0000000000
#
H aug-QZV2P-GTH
4
1 0 0 6 4
12.5350945530 0.0114321687 0.0000000000 0.0000000000 0.0000000000
4.5491539489 0.0344048283 0.0000000000 0.0000000000 0.0000000000
1.6685193606 0.1007746979 0.0000000000 0.0000000000 0.0000000000
0.6523849556 0.2302169182 1.0000000000 0.0000000000 0.0000000000
0.2733011244 0.4067637930 0.0000000000 1.0000000000 0.0000000000
0.1390608890 0.3322841300 0.0000000000 0.0000000000 1.0000000000
2 1 1 2 2
1.4070000000 1.0000000000 0.0000000000
0.3880000000 0.0000000000 1.0000000000
5 0 0 1 1
0.0236300000 1.0000000000
4 1 1 1 1
0.0848000000 1.0000000000
#
H aug-QZV3P-GTH
4
1 0 0 6 4
12.5350945530 0.0114321687 0.0000000000 0.0000000000 0.0000000000
4.5491539489 0.0344048283 0.0000000000 0.0000000000 0.0000000000
1.6685193606 0.1007746979 0.0000000000 0.0000000000 0.0000000000
0.6523849556 0.2302169182 1.0000000000 0.0000000000 0.0000000000
0.2733011244 0.4067637930 0.0000000000 1.0000000000 0.0000000000
0.1390608890 0.3322841300 0.0000000000 0.0000000000 1.0000000000
2 1 1 3 3
2.2920000000 1.0000000000 0.0000000000 0.0000000000
0.8380000000 0.0000000000 1.0000000000 0.0000000000
0.2920000000 0.0000000000 0.0000000000 1.0000000000
5 0 0 1 1
0.0236300000 1.0000000000
5 1 1 1 1
0.0848000000 1.0000000000
#
He SZV-GTH
1
1 0 0 5 1
13.1305278312 -0.0500802904
4.1977275150 -0.1474339352
1.3647725570 -0.3245281495
0.4549715461 -0.4365284986
0.1513197845 -0.2164629317
#
He DZV-GTH
1
1 0 0 5 2
13.1305278312 -0.0500802904 0.0000000000
4.1977275150 -0.1474339352 0.0000000000
1.3647725570 -0.3245281495 0.0000000000
0.4549715461 -0.4365284986 0.0000000000
0.1513197845 -0.2164629317 1.0000000000
#
He DZVP-GTH
2
1 0 0 5 2
13.1305278312 -0.0500802904 0.0000000000
4.1977275150 -0.1474339352 0.0000000000
1.3647725570 -0.3245281495 0.0000000000
0.4549715461 -0.4365284986 0.0000000000
0.1513197845 -0.2164629317 1.0000000000
2 1 1 1 1
1.2750000000 1.0000000000
#
He TZVP-GTH
2
1 0 0 6 3
14.9231368362 0.0343142688 0.0000000000 0.0000000000
5.9479610723 0.0933152472 0.0000000000 0.0000000000
2.1932485067 0.2143451850 0.0000000000 0.0000000000
0.8304881034 0.3500759421 0.0000000000 0.0000000000
0.3182586587 0.3570840512 1.0000000000 0.0000000000
0.1197839846 0.1270021790 0.0000000000 1.0000000000
2 1 1 1 1
1.2750000000 1.0000000000
#
He TZV2P-GTH
2
1 0 0 6 3
14.9231368362 0.0343142688 0.0000000000 0.0000000000
5.9479610723 0.0933152472 0.0000000000 0.0000000000
2.1932485067 0.2143451850 0.0000000000 0.0000000000
0.8304881034 0.3500759421 0.0000000000 0.0000000000
0.3182586587 0.3570840512 1.0000000000 0.0000000000
0.1197839846 0.1270021790 0.0000000000 1.0000000000
2 1 1 2 2
3.0440000000 1.0000000000 0.0000000000
0.7580000000 0.0000000000 1.0000000000
#
He QZV2P-GTH
2
1 0 0 7 4
16.7962354569 -0.0217345796 0.0000000000 0.0000000000 0.0000000000
8.0784265748 -0.0637981790 0.0000000000 0.0000000000 0.0000000000
3.2397448253 -0.1438730374 0.0000000000 0.0000000000 0.0000000000
1.3463173459 -0.2567923947 0.0000000000 0.0000000000 0.0000000000
0.5669193043 -0.3407783682 1.0000000000 0.0000000000 0.0000000000
0.2404041556 -0.2752209877 0.0000000000 1.0000000000 0.0000000000
0.0990547078 -0.0742573863 0.0000000000 0.0000000000 1.0000000000
2 1 1 2 2
3.0440000000 1.0000000000 0.0000000000
0.7580000000 0.0000000000 1.0000000000
#
He QZV3P-GTH
2
1 0 0 7 4
16.7962354569 -0.0217345796 0.0000000000 0.0000000000 0.0000000000
8.0784265748 -0.0637981790 0.0000000000 0.0000000000 0.0000000000
3.2397448253 -0.1438730374 0.0000000000 0.0000000000 0.0000000000
1.3463173459 -0.2567923947 0.0000000000 0.0000000000 0.0000000000
0.5669193043 -0.3407783682 1.0000000000 0.0000000000 0.0000000000
0.2404041556 -0.2752209877 0.0000000000 1.0000000000 0.0000000000
0.0990547078 -0.0742573863 0.0000000000 0.0000000000 1.0000000000
2 1 1 3 3
5.9940000000 1.0000000000 0.0000000000 0.0000000000
1.7450000000 0.0000000000 1.0000000000 0.0000000000
0.5600000000 0.0000000000 0.0000000000 1.0000000000
#
Li SZV-GTH
1
1 0 0 5 2
7.2610457926 -0.2798628497 0.0501840556
2.1056583087 -0.4477420790 0.1084202571
0.6439906571 -0.3912929157 0.1448363201
0.0797152017 -0.0282408543 -0.4643021689
0.0294029590 0.0106542324 -0.6220213304
#
Li DZVP-GTH
2
1 0 1 5 3 2
7.2610457926 -0.2798628497 0.0501840556 0.0000000000 0.0000000000 0.0000000000
2.1056583087 -0.4477420790 0.1084202571 0.0000000000 0.0000000000 0.0000000000
0.6439906571 -0.3912929157 0.1448363201 0.0000000000 1.0000000000 0.0000000000
0.0797152017 -0.0282408543 -0.4643021689 0.0000000000 0.0000000000 1.0000000000
0.0294029590 0.0106542324 -0.6220213304 1.0000000000 0.0000000000 0.0000000000
3 2 2 1 1
0.1239000000 1.0000000000
#
Li TZVP-GTH
2
1 0 1 6 4 3
9.0670525492 -0.1411283591 0.0257097367 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000
4.3499909489 -0.2767569948 0.0520569091 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000
1.4348215636 -0.4501634495 0.1264219750 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000
0.4970537951 -0.2617675690 0.1024067911 0.0000000000 0.0000000000 1.0000000000 0.0000000000 0.0000000000
0.0729943466 -0.0116685753 -0.5635707625 1.0000000000 0.0000000000 0.0000000000 1.0000000000 0.0000000000
0.0264328979 0.0038616721 -0.5290102979 0.0000000000 1.0000000000 0.0000000000 0.0000000000 1.0000000000
3 2 2 1 1
0.1239000000 1.0000000000
#
Li TZV2P-GTH
2
1 0 1 6 4 3
9.0670525492 -0.1411283591 0.0257097367 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000
4.3499909489 -0.2767569948 0.0520569091 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000
1.4348215636 -0.4501634495 0.1264219750 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000
0.4970537951 -0.2617675690 0.1024067911 0.0000000000 0.0000000000 1.0000000000 0.0000000000 0.0000000000
0.0729943466 -0.0116685753 -0.5635707625 1.0000000000 0.0000000000 0.0000000000 1.0000000000 0.0000000000
0.0264328979 0.0038616721 -0.5290102979 0.0000000000 1.0000000000 0.0000000000 0.0000000000 1.0000000000
3 2 2 2 2
0.1874000000 1.0000000000 0.0000000000
0.0801000000 0.0000000000 1.0000000000
#
Li QZV2P-GTH
2
1 0 1 7 5 4
11.2399728913 0.0546031957 0.0121121394 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000
5.9010009273 0.2707752256 0.0442943986 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000
2.1128841305 0.3250518116 0.0864603159 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000
0.9242200694 0.3360526690 0.0982556510 0.0000000000 0.0000000000 0.0000000000 1.0000000000 0.0000000000 0.0000000000 0.0000000000
0.3843405136 0.1477938090 0.0724371635 1.0000000000 0.0000000000 0.0000000000 0.0000000000 1.0000000000 0.0000000000 0.0000000000
0.0745791133 0.0049656060 -0.5608077915 0.0000000000 1.0000000000 0.0000000000 0.0000000000 0.0000000000 1.0000000000 0.0000000000
0.0266127545 -0.0013302258 -0.5385875662 0.0000000000 0.0000000000 1.0000000000 0.0000000000 0.0000000000 0.0000000000 1.0000000000
3 2 2 2 2
0.1874000000 1.0000000000 0.0000000000
0.0801000000 0.0000000000 1.0000000000
#
Li QZV3P-GTH
2
1 0 1 7 5 4
11.2399728913 0.0546031957 0.0121121394 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000
5.9010009273 0.2707752256 0.0442943986 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000
2.1128841305 0.3250518116 0.0864603159 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000
0.9242200694 0.3360526690 0.0982556510 0.0000000000 0.0000000000 0.0000000000 1.0000000000 0.0000000000 0.0000000000 0.0000000000
0.3843405136 0.1477938090 0.0724371635 1.0000000000 0.0000000000 0.0000000000 0.0000000000 1.0000000000 0.0000000000 0.0000000000
0.0745791133 0.0049656060 -0.5608077915 0.0000000000 1.0000000000 0.0000000000 0.0000000000 0.0000000000 1.0000000000 0.0000000000
0.0266127545 -0.0013302258 -0.5385875662 0.0000000000 0.0000000000 1.0000000000 0.0000000000 0.0000000000 0.0000000000 1.0000000000
3 2 2 3 3
0.3440000000 1.0000000000 0.0000000000 0.0000000000
0.1530000000 0.0000000000 1.0000000000 0.0000000000
0.0680000000 0.0000000000 0.0000000000 1.0000000000
#
Be SZV-GTH
1
1 0 0 5 2
12.0759365620 -0.2957180545 0.0588372089
3.8545761940 -0.4334460398 0.1288856096
1.2504781570 -0.3784683226 0.1550415386
0.1871714430 -0.0264606251 -0.5160084709
0.0612757198 0.0081452640 -0.5935732462
#
Be DZVP-GTH
2
1 0 1 5 3 2
12.0759365620 -0.2957180545 0.0588372089 0.0000000000 0.0000000000 0.0000000000
3.8545761940 -0.4334460398 0.1288856096 0.0000000000 0.0000000000 0.0000000000
1.2504781570 -0.3784683226 0.1550415386 0.0000000000 0.0000000000 0.0000000000
0.1871714430 -0.0264606251 -0.5160084709 0.0000000000 1.0000000000 0.0000000000
0.0612757198 0.0081452640 -0.5935732462 1.0000000000 0.0000000000 1.0000000000
3 2 2 1 1
0.2380000000 1.0000000000
#
Be TZVP-GTH
2
1 0 1 6 4 3
16.1633017560 0.1058505482 0.0252110810 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000
8.2794656488 0.3142306535 0.0592234829 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000
2.7431462702 0.4327355582 0.1590642952 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000
1.0051192904 0.2646375740 0.0970211162 0.0000000000 0.0000000000 1.0000000000 0.0000000000 0.0000000000
0.1765074807 0.0128485143 -0.5606394206 1.0000000000 0.0000000000 0.0000000000 1.0000000000 0.0000000000
0.0580432824 -0.0034494712 -0.5479256813 0.0000000000 1.0000000000 0.0000000000 0.0000000000 1.0000000000
3 2 2 1 1
0.2380000000 1.0000000000
#
Be TZV2P-GTH
2
1 0 1 6 4 3
16.1633017560 0.1058505482 0.0252110810 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000
8.2794656488 0.3142306535 0.0592234829 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000
2.7431462702 0.4327355582 0.1590642952 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000
1.0051192904 0.2646375740 0.0970211162 0.0000000000 0.0000000000 1.0000000000 0.0000000000 0.0000000000
0.1765074807 0.0128485143 -0.5606394206 1.0000000000 0.0000000000 0.0000000000 1.0000000000 0.0000000000
0.0580432824 -0.0034494712 -0.5479256813 0.0000000000 1.0000000000 0.0000000000 0.0000000000 1.0000000000
3 2 2 2 2
0.3480000000 1.0000000000 0.0000000000
0.1803000000 0.0000000000 1.0000000000
#
Be QZV2P-GTH
2
1 0 1 7 5 4
16.8878782250 -0.0871781047 -0.0213560020 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000
8.7399964830 -0.3154557784 -0.0594803584 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000
2.9043390390 -0.4227762231 -0.1487687019 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000
1.0791842760 -0.2848246813 -0.1164217493 0.0000000000 0.0000000000 0.0000000000 1.0000000000 0.0000000000 0.0000000000 0.0000000000
0.2337917550 -0.0252413708 0.2786030195 1.0000000000 0.0000000000 0.0000000000 0.0000000000 1.0000000000 0.0000000000 0.0000000000
0.1037025890 0.0110215162 0.5642008017 0.0000000000 1.0000000000 0.0000000000 0.0000000000 0.0000000000 1.0000000000 0.0000000000
0.0421510390 -0.0028677576 0.2754009863 0.0000000000 0.0000000000 1.0000000000 0.0000000000 0.0000000000 0.0000000000 1.0000000000
3 2 2 2 2
0.3480000000 1.0000000000 0.0000000000
0.1803000000 0.0000000000 1.0000000000
#
Be QZV3P-GTH
2
1 0 1 7 5 4
16.8878782250 -0.0871781047 -0.0213560020 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000
8.7399964830 -0.3154557784 -0.0594803584 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000
2.9043390390 -0.4227762231 -0.1487687019 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000
1.0791842760 -0.2848246813 -0.1164217493 0.0000000000 0.0000000000 0.0000000000 1.0000000000 0.0000000000 0.0000000000 0.0000000000
0.2337917550 -0.0252413708 0.2786030195 1.0000000000 0.0000000000 0.0000000000 0.0000000000 1.0000000000 0.0000000000 0.0000000000
0.1037025890 0.0110215162 0.5642008017 0.0000000000 1.0000000000 0.0000000000 0.0000000000 0.0000000000 1.0000000000 0.0000000000
0.0421510390 -0.0028677576 0.2754009863 0.0000000000 0.0000000000 1.0000000000 0.0000000000 0.0000000000 0.0000000000 1.0000000000
3 2 2 3 3
1.0720000000 1.0000000000 0.0000000000 0.0000000000
0.4410000000 0.0000000000 1.0000000000 0.0000000000
0.1811000000 0.0000000000 0.0000000000 1.0000000000
#
B SZV-GTH
1
2 0 1 4 1 1
2.8854084023 0.1420731829 -0.0759815770
0.8566849689 -0.0083257749 -0.2508281584
0.2712991753 -0.6707104603 -0.4610296144
0.0826101984 -0.4241277148 -0.4419922734
#
B DZVP-GTH
2
2 0 1 4 2 2
2.8854084023 0.1420731829 0.0000000000 -0.0759815770 0.0000000000
0.8566849689 -0.0083257749 0.0000000000 -0.2508281584 0.0000000000
0.2712991753 -0.6707104603 0.0000000000 -0.4610296144 0.0000000000
0.0826101984 -0.4241277148 1.0000000000 -0.4419922734 1.0000000000
3 2 2 1 1
0.3430000000 1.0000000000
#
B TZVP-GTH
2
2 0 1 5 3 3
3.5725567849 0.0919963366 0.0000000000 0.0000000000 -0.0431808210 0.0000000000 0.0000000000
1.3258097706 0.1075235422 0.0000000000 0.0000000000 -0.1511855730 0.0000000000 0.0000000000
0.4583887751 -0.3415470752 0.0000000000 0.0000000000 -0.3429313866 0.0000000000 0.0000000000
0.1620866416 -0.6439245174 1.0000000000 0.0000000000 -0.4414563660 1.0000000000 0.0000000000
0.0559199264 -0.1753147308 0.0000000000 1.0000000000 -0.2681154092 0.0000000000 1.0000000000
3 2 2 1 1
0.3430000000 1.0000000000
#
B TZV2P-GTH
2
2 0 1 5 3 3
3.5725567849 0.0919963366 0.0000000000 0.0000000000 -0.0431808210 0.0000000000 0.0000000000
1.3258097706 0.1075235422 0.0000000000 0.0000000000 -0.1511855730 0.0000000000 0.0000000000
0.4583887751 -0.3415470752 0.0000000000 0.0000000000 -0.3429313866 0.0000000000 0.0000000000
0.1620866416 -0.6439245174 1.0000000000 0.0000000000 -0.4414563660 1.0000000000 0.0000000000
0.0559199264 -0.1753147308 0.0000000000 1.0000000000 -0.2681154092 0.0000000000 1.0000000000
3 2 2 2 2
0.6610000000 1.0000000000 0.0000000000
0.1990000000 0.0000000000 1.0000000000
#
B QZV2P-GTH
2
2 0 1 6 4 4
4.1102306804 -0.0620335875 0.0000000000 0.0000000000 0.0000000000 0.0278217612 0.0000000000 0.0000000000 0.0000000000
1.7172984348 -0.1274529700 0.0000000000 0.0000000000 0.0000000000 0.1085525628 0.0000000000 0.0000000000 0.0000000000
0.6589800479 0.1200448703 0.0000000000 0.0000000000 0.0000000000 0.2367567166 0.0000000000 0.0000000000 0.0000000000
0.2700358860 0.5129734657 1.0000000000 0.0000000000 0.0000000000 0.3599759140 1.0000000000 0.0000000000 0.0000000000
0.1081818865 0.4555842541 0.0000000000 1.0000000000 0.0000000000 0.3683676413 0.0000000000 1.0000000000 0.0000000000
0.0406426579 0.0612204758 0.0000000000 0.0000000000 1.0000000000 0.1513382480 0.0000000000 0.0000000000 1.0000000000
3 2 2 2 2
0.6610000000 1.0000000000 0.0000000000
0.1990000000 0.0000000000 1.0000000000
#
B QZV3P-GTH
2
2 0 1 6 4 4
4.1102306804 -0.0620335875 0.0000000000 0.0000000000 0.0000000000 0.0278217612 0.0000000000 0.0000000000 0.0000000000
1.7172984348 -0.1274529700 0.0000000000 0.0000000000 0.0000000000 0.1085525628 0.0000000000 0.0000000000 0.0000000000
0.6589800479 0.1200448703 0.0000000000 0.0000000000 0.0000000000 0.2367567166 0.0000000000 0.0000000000 0.0000000000
0.2700358860 0.5129734657 1.0000000000 0.0000000000 0.0000000000 0.3599759140 1.0000000000 0.0000000000 0.0000000000
0.1081818865 0.4555842541 0.0000000000 1.0000000000 0.0000000000 0.3683676413 0.0000000000 1.0000000000 0.0000000000
0.0406426579 0.0612204758 0.0000000000 0.0000000000 1.0000000000 0.1513382480 0.0000000000 0.0000000000 1.0000000000
3 2 2 3 3
1.1100000000 1.0000000000 0.0000000000 0.0000000000
0.4020000000 0.0000000000 1.0000000000 0.0000000000
0.1450000000 0.0000000000 0.0000000000 1.0000000000
#
C SZV-GTH
1
2 0 1 4 1 1
4.3362376436 0.1490797872 -0.0878123619
1.2881838513 -0.0292640031 -0.2775560300
0.4037767149 -0.6882040510 -0.4712295093
0.1187877657 -0.3964426906 -0.4058039291
#
C DZVP-GTH
2
2 0 1 4 2 2
4.3362376436 0.1490797872 0.0000000000 -0.0878123619 0.0000000000
1.2881838513 -0.0292640031 0.0000000000 -0.2775560300 0.0000000000
0.4037767149 -0.6882040510 0.0000000000 -0.4712295093 0.0000000000
0.1187877657 -0.3964426906 1.0000000000 -0.4058039291 1.0000000000
3 2 2 1 1
0.5500000000 1.0000000000
#
C TZVP-GTH
2
2 0 1 5 3 3
5.3685662937 0.0974901974 0.0000000000 0.0000000000 -0.0510969367 0.0000000000 0.0000000000
1.9830691554 0.1041996677 0.0000000000 0.0000000000 -0.1693035193 0.0000000000 0.0000000000
0.6978346167 -0.3645093878 0.0000000000 0.0000000000 -0.3579933930 0.0000000000 0.0000000000
0.2430968816 -0.6336931464 1.0000000000 0.0000000000 -0.4327616531 1.0000000000 0.0000000000
0.0812865018 -0.1676727564 0.0000000000 1.0000000000 -0.2457672757 0.0000000000 1.0000000000
3 2 2 1 1
0.5500000000 1.0000000000
#
C TZV2P-GTH
2
2 0 1 5 3 3
5.3685662937 0.0974901974 0.0000000000 0.0000000000 -0.0510969367 0.0000000000 0.0000000000
1.9830691554 0.1041996677 0.0000000000 0.0000000000 -0.1693035193 0.0000000000 0.0000000000
0.6978346167 -0.3645093878 0.0000000000 0.0000000000 -0.3579933930 0.0000000000 0.0000000000
0.2430968816 -0.6336931464 1.0000000000 0.0000000000 -0.4327616531 1.0000000000 0.0000000000
0.0812865018 -0.1676727564 0.0000000000 1.0000000000 -0.2457672757 0.0000000000 1.0000000000
3 2 2 2 2
1.0970000000 1.0000000000 0.0000000000
0.3180000000 0.0000000000 1.0000000000
#
C QZV2P-GTH
2
2 0 1 6 4 4
6.2117903778 -0.0646967401 0.0000000000 0.0000000000 0.0000000000 0.0325569458 0.0000000000 0.0000000000 0.0000000000
2.6063423906 -0.1297753357 0.0000000000 0.0000000000 0.0000000000 0.1202876489 0.0000000000 0.0000000000 0.0000000000
1.0110258071 0.1365330322 0.0000000000 0.0000000000 0.0000000000 0.2556810166 0.0000000000 0.0000000000 0.0000000000
0.4099767831 0.5183875877 1.0000000000 0.0000000000 0.0000000000 0.3643736556 1.0000000000 0.0000000000 0.0000000000
0.1615409293 0.4426674841 0.0000000000 1.0000000000 0.0000000000 0.3489621232 0.0000000000 1.0000000000 0.0000000000
0.0597349919 0.0598757918 0.0000000000 0.0000000000 1.0000000000 0.1399973180 0.0000000000 0.0000000000 1.0000000000
3 2 2 2 2
1.0970000000 1.0000000000 0.0000000000
0.3180000000 0.0000000000 1.0000000000
#
C QZV3P-GTH
2
2 0 1 6 4 4
6.2117903778 -0.0646967401 0.0000000000 0.0000000000 0.0000000000 0.0325569458 0.0000000000 0.0000000000 0.0000000000
2.6063423906 -0.1297753357 0.0000000000 0.0000000000 0.0000000000 0.1202876489 0.0000000000 0.0000000000 0.0000000000
1.0110258071 0.1365330322 0.0000000000 0.0000000000 0.0000000000 0.2556810166 0.0000000000 0.0000000000 0.0000000000
0.4099767831 0.5183875877 1.0000000000 0.0000000000 0.0000000000 0.3643736556 1.0000000000 0.0000000000 0.0000000000
0.1615409293 0.4426674841 0.0000000000 1.0000000000 0.0000000000 0.3489621232 0.0000000000 1.0000000000 0.0000000000
0.0597349919 0.0598757918 0.0000000000 0.0000000000 1.0000000000 0.1399973180 0.0000000000 0.0000000000 1.0000000000
3 2 2 3 3
1.8480000000 1.0000000000 0.0000000000 0.0000000000
0.6490000000 0.0000000000 1.0000000000 0.0000000000
0.2280000000 0.0000000000 0.0000000000 1.0000000000
#
C aug-DZVP-GTH
4
2 0 1 4 2 2
4.3362376436 0.1490797872 0.0000000000 -0.0878123619 0.0000000000
1.2881838513 -0.0292640031 0.0000000000 -0.2775560300 0.0000000000
0.4037767149 -0.6882040510 0.0000000000 -0.4712295093 0.0000000000
0.1187877657 -0.3964426906 1.0000000000 -0.4058039291 1.0000000000
3 2 2 1 1
0.5500000000 1.0000000000
2 0 0 1 1
0.04690000 1.0000000000
2 1 1 1 1
0.04041000 1.0000000000
#
C aug-TZVP-GTH
4
2 0 1 5 3 3
5.3685662937 0.0974901974 0.0000000000 0.0000000000 -0.0510969367 0.0000000000 0.0000000000
1.9830691554 0.1041996677 0.0000000000 0.0000000000 -0.1693035193 0.0000000000 0.0000000000
0.6978346167 -0.3645093878 0.0000000000 0.0000000000 -0.3579933930 0.0000000000 0.0000000000
0.2430968816 -0.6336931464 1.0000000000 0.0000000000 -0.4327616531 1.0000000000 0.0000000000
0.0812865018 -0.1676727564 0.0000000000 1.0000000000 -0.2457672757 0.0000000000 1.0000000000
3 2 2 1 1
0.5500000000 1.0000000000
2 0 0 1 1
0.04402000 1.0000000000
2 1 1 1 1
0.03569000 1.0000000000
#
C aug-TZV2P-GTH
4
2 0 1 5 3 3
5.3685662937 0.0974901974 0.0000000000 0.0000000000 -0.0510969367 0.0000000000 0.0000000000
1.9830691554 0.1041996677 0.0000000000 0.0000000000 -0.1693035193 0.0000000000 0.0000000000
0.6978346167 -0.3645093878 0.0000000000 0.0000000000 -0.3579933930 0.0000000000 0.0000000000
0.2430968816 -0.6336931464 1.0000000000 0.0000000000 -0.4327616531 1.0000000000 0.0000000000
0.0812865018 -0.1676727564 0.0000000000 1.0000000000 -0.2457672757 0.0000000000 1.0000000000
3 2 2 2 2
1.0970000000 1.0000000000 0.0000000000
0.3180000000 0.0000000000 1.0000000000
2 0 0 1 1
0.04402000 1.0000000000
2 1 1 1 1
0.03569000 1.0000000000
#
C aug-QZV2P-GTH
4
2 0 1 6 4 4
6.2117903778 -0.0646967401 0.0000000000 0.0000000000 0.0000000000 0.0325569458 0.0000000000 0.0000000000 0.0000000000
2.6063423906 -0.1297753357 0.0000000000 0.0000000000 0.0000000000 0.1202876489 0.0000000000 0.0000000000 0.0000000000
1.0110258071 0.1365330322 0.0000000000 0.0000000000 0.0000000000 0.2556810166 0.0000000000 0.0000000000 0.0000000000
0.4099767831 0.5183875877 1.0000000000 0.0000000000 0.0000000000 0.3643736556 1.0000000000 0.0000000000 0.0000000000
0.1615409293 0.4426674841 0.0000000000 1.0000000000 0.0000000000 0.3489621232 0.0000000000 1.0000000000 0.0000000000
0.0597349919 0.0598757918 0.0000000000 0.0000000000 1.0000000000 0.1399973180 0.0000000000 0.0000000000 1.0000000000
3 2 2 2 2
1.0970000000 1.0000000000 0.0000000000
0.3180000000 0.0000000000 1.0000000000
2 0 0 1 1
0.04145000 1.0000000000
2 1 1 1 1
0.03218000 1.0000000000
#
C aug-QZV3P-GTH
4
2 0 1 6 4 4
6.2117903778 -0.0646967401 0.0000000000 0.0000000000 0.0000000000 0.0325569458 0.0000000000 0.0000000000 0.0000000000
2.6063423906 -0.1297753357 0.0000000000 0.0000000000 0.0000000000 0.1202876489 0.0000000000 0.0000000000 0.0000000000
1.0110258071 0.1365330322 0.0000000000 0.0000000000 0.0000000000 0.2556810166 0.0000000000 0.0000000000 0.0000000000
0.4099767831 0.5183875877 1.0000000000 0.0000000000 0.0000000000 0.3643736556 1.0000000000 0.0000000000 0.0000000000
0.1615409293 0.4426674841 0.0000000000 1.0000000000 0.0000000000 0.3489621232 0.0000000000 1.0000000000 0.0000000000
0.0597349919 0.0598757918 0.0000000000 0.0000000000 1.0000000000 0.1399973180 0.0000000000 0.0000000000 1.0000000000
3 2 2 3 3
1.8480000000 1.0000000000 0.0000000000 0.0000000000
0.6490000000 0.0000000000 1.0000000000 0.0000000000
0.2280000000 0.0000000000 0.0000000000 1.0000000000
2 0 0 1 1
0.04145000 1.0000000000
2 1 1 1 1
0.03218000 1.0000000000
#
N SZV-GTH
1
2 0 1 4 1 1
6.1526903413 0.1506300537 -0.0950603476
1.8236332280 -0.0360100734 -0.2918864295
0.5676628870 -0.6942023212 -0.4739050050
0.1628222852 -0.3878929987 -0.3893418670
#
N DZVP-GTH
2
2 0 1 4 2 2
6.1526903413 0.1506300537 0.0000000000 -0.0950603476 0.0000000000
1.8236332280 -0.0360100734 0.0000000000 -0.2918864295 0.0000000000
0.5676628870 -0.6942023212 0.0000000000 -0.4739050050 0.0000000000
0.1628222852 -0.3878929987 1.0000000000 -0.3893418670 1.0000000000
3 2 2 1 1
0.8170000000 1.0000000000
#
N TZVP-GTH
2
2 0 1 5 3 3
7.6227447102 0.0983924689 0.0000000000 0.0000000000 -0.0561654555 0.0000000000 0.0000000000
2.7970605447 0.1045217098 0.0000000000 0.0000000000 -0.1798165209 0.0000000000 0.0000000000
0.9909765447 -0.3742661352 0.0000000000 0.0000000000 -0.3653986185 0.0000000000 0.0000000000
0.3417314862 -0.6278094034 1.0000000000 0.0000000000 -0.4259126207 1.0000000000 0.0000000000
0.1116822743 -0.1675236192 0.0000000000 1.0000000000 -0.2366040346 0.0000000000 1.0000000000
3 2 2 1 1
0.8170000000 1.0000000000
#
N TZV2P-GTH
2
2 0 1 5 3 3
7.6227447102 0.0983924689 0.0000000000 0.0000000000 -0.0561654555 0.0000000000 0.0000000000
2.7970605447 0.1045217098 0.0000000000 0.0000000000 -0.1798165209 0.0000000000 0.0000000000
0.9909765447 -0.3742661352 0.0000000000 0.0000000000 -0.3653986185 0.0000000000 0.0000000000
0.3417314862 -0.6278094034 1.0000000000 0.0000000000 -0.4259126207 1.0000000000 0.0000000000
0.1116822743 -0.1675236192 0.0000000000 1.0000000000 -0.2366040346 0.0000000000 1.0000000000
3 2 2 2 2
1.6540000000 1.0000000000 0.0000000000
0.4690000000 0.0000000000 1.0000000000
#
N QZV2P-GTH
2
2 0 1 6 4 4
8.8030997240 -0.0653598725 0.0000000000 0.0000000000 0.0000000000 0.0363703004 0.0000000000 0.0000000000 0.0000000000
3.6785202400 -0.1318019698 0.0000000000 0.0000000000 0.0000000000 0.1277243136 0.0000000000 0.0000000000 0.0000000000
1.4352947631 0.1465239013 0.0000000000 0.0000000000 0.0000000000 0.2667499496 0.0000000000 0.0000000000 0.0000000000
0.5774326402 0.5201300002 1.0000000000 0.0000000000 0.0000000000 0.3658846849 1.0000000000 0.0000000000 0.0000000000
0.2247320708 0.4360365020 0.0000000000 1.0000000000 0.0000000000 0.3370061673 0.0000000000 1.0000000000 0.0000000000
0.0818920852 0.0597929754 0.0000000000 0.0000000000 1.0000000000 0.1349212947 0.0000000000 0.0000000000 1.0000000000
3 2 2 2 2
1.6540000000 1.0000000000 0.0000000000
0.4690000000 0.0000000000 1.0000000000
#
N QZV3P-GTH
2
2 0 1 6 4 4
8.8030997240 -0.0653598725 0.0000000000 0.0000000000 0.0000000000 0.0363703004 0.0000000000 0.0000000000 0.0000000000
3.6785202400 -0.1318019698 0.0000000000 0.0000000000 0.0000000000 0.1277243136 0.0000000000 0.0000000000 0.0000000000
1.4352947631 0.1465239013 0.0000000000 0.0000000000 0.0000000000 0.2667499496 0.0000000000 0.0000000000 0.0000000000
0.5774326402 0.5201300002 1.0000000000 0.0000000000 0.0000000000 0.3658846849 1.0000000000 0.0000000000 0.0000000000
0.2247320708 0.4360365020 0.0000000000 1.0000000000 0.0000000000 0.3370061673 0.0000000000 1.0000000000 0.0000000000
0.0818920852 0.0597929754 0.0000000000 0.0000000000 1.0000000000 0.1349212947 0.0000000000 0.0000000000 1.0000000000
3 2 2 3 3
2.8370000000 1.0000000000 0.0000000000 0.0000000000
0.9680000000 0.0000000000 1.0000000000 0.0000000000
0.3350000000 0.0000000000 0.0000000000 1.0000000000
#
N aug-DZVP-GTH
4
2 0 1 4 2 2
6.1526903413 0.1506300537 0.0000000000 -0.0950603476 0.0000000000
1.8236332280 -0.0360100734 0.0000000000 -0.2918864295 0.0000000000
0.5676628870 -0.6942023212 0.0000000000 -0.4739050050 0.0000000000
0.1628222852 -0.3878929987 1.0000000000 -0.3893418670 1.0000000000
3 2 2 1 1
0.8170000000 1.0000000000
2 0 0 1 1
0.06124000 1.0000000000
2 1 1 1 1
0.05611000 1.0000000000
#
N aug-TZVP-GTH
4
2 0 1 5 3 3
7.6227447102 0.0983924689 0.0000000000 0.0000000000 -0.0561654555 0.0000000000 0.0000000000
2.7970605447 0.1045217098 0.0000000000 0.0000000000 -0.1798165209 0.0000000000 0.0000000000
0.9909765447 -0.3742661352 0.0000000000 0.0000000000 -0.3653986185 0.0000000000 0.0000000000
0.3417314862 -0.6278094034 1.0000000000 0.0000000000 -0.4259126207 1.0000000000 0.0000000000
0.1116822743 -0.1675236192 0.0000000000 1.0000000000 -0.2366040346 0.0000000000 1.0000000000
3 2 2 1 1
0.8170000000 1.0000000000
2 0 0 1 1
0.05760000 1.0000000000
2 1 1 1 1
0.04910000 1.0000000000
#
N aug-TZV2P-GTH
4
2 0 1 5 3 3
7.6227447102 0.0983924689 0.0000000000 0.0000000000 -0.0561654555 0.0000000000 0.0000000000
2.7970605447 0.1045217098 0.0000000000 0.0000000000 -0.1798165209 0.0000000000 0.0000000000
0.9909765447 -0.3742661352 0.0000000000 0.0000000000 -0.3653986185 0.0000000000 0.0000000000
0.3417314862 -0.6278094034 1.0000000000 0.0000000000 -0.4259126207 1.0000000000 0.0000000000
0.1116822743 -0.1675236192 0.0000000000 1.0000000000 -0.2366040346 0.0000000000 1.0000000000
3 2 2 2 2
1.6540000000 1.0000000000 0.0000000000
0.4690000000 0.0000000000 1.0000000000
2 0 0 1 1
0.05760000 1.0000000000
2 1 1 1 1
0.04910000 1.0000000000
#
N aug-QZV2P-GTH
4
2 0 1 6 4 4
8.8030997240 -0.0653598725 0.0000000000 0.0000000000 0.0000000000 0.0363703004 0.0000000000 0.0000000000 0.0000000000
3.6785202400 -0.1318019698 0.0000000000 0.0000000000 0.0000000000 0.1277243136 0.0000000000 0.0000000000 0.0000000000
1.4352947631 0.1465239013 0.0000000000 0.0000000000 0.0000000000 0.2667499496 0.0000000000 0.0000000000 0.0000000000
0.5774326402 0.5201300002 1.0000000000 0.0000000000 0.0000000000 0.3658846849 1.0000000000 0.0000000000 0.0000000000
0.2247320708 0.4360365020 0.0000000000 1.0000000000 0.0000000000 0.3370061673 0.0000000000 1.0000000000 0.0000000000
0.0818920852 0.0597929754 0.0000000000 0.0000000000 1.0000000000 0.1349212947 0.0000000000 0.0000000000 1.0000000000
3 2 2 2 2
1.6540000000 1.0000000000 0.0000000000
0.4690000000 0.0000000000 1.0000000000
2 0 0 1 1
0.05464000 1.0000000000
2 1 1 1 1
0.04402000 1.0000000000
#
N aug-QZV3P-GTH
4
2 0 1 6 4 4
8.8030997240 -0.0653598725 0.0000000000 0.0000000000 0.0000000000 0.0363703004 0.0000000000 0.0000000000 0.0000000000
3.6785202400 -0.1318019698 0.0000000000 0.0000000000 0.0000000000 0.1277243136 0.0000000000 0.0000000000 0.0000000000
1.4352947631 0.1465239013 0.0000000000 0.0000000000 0.0000000000 0.2667499496 0.0000000000 0.0000000000 0.0000000000
0.5774326402 0.5201300002 1.0000000000 0.0000000000 0.0000000000 0.3658846849 1.0000000000 0.0000000000 0.0000000000
0.2247320708 0.4360365020 0.0000000000 1.0000000000 0.0000000000 0.3370061673 0.0000000000 1.0000000000 0.0000000000
0.0818920852 0.0597929754 0.0000000000 0.0000000000 1.0000000000 0.1349212947 0.0000000000 0.0000000000 1.0000000000
3 2 2 3 3
2.8370000000 1.0000000000 0.0000000000 0.0000000000
0.9680000000 0.0000000000 1.0000000000 0.0000000000
0.3350000000 0.0000000000 0.0000000000 1.0000000000
2 0 0 1 1
0.05464000 1.0000000000
2 1 1 1 1
0.04402000 1.0000000000
#
O SZV-GTH
1
2 0 1 4 1 1
8.3043855492 0.1510165999 -0.0995679273
2.4579484191 -0.0393195364 -0.3011422449
0.7597373434 -0.6971724029 -0.4750857083
0.2136388632 -0.3841133622 -0.3798777957
#
O DZVP-GTH
2
2 0 1 4 2 2
8.3043855492 0.1510165999 0.0000000000 -0.0995679273 0.0000000000
2.4579484191 -0.0393195364 0.0000000000 -0.3011422449 0.0000000000
0.7597373434 -0.6971724029 0.0000000000 -0.4750857083 0.0000000000
0.2136388632 -0.3841133622 1.0000000000 -0.3798777957 1.0000000000
3 2 2 1 1
1.1850000000 1.0000000000
#
O TZVP-GTH
2
2 0 1 5 3 3
10.2674419938 0.0989598460 0.0000000000 0.0000000000 -0.0595856940 0.0000000000 0.0000000000
3.7480495696 0.1041178339 0.0000000000 0.0000000000 -0.1875649045 0.0000000000 0.0000000000
1.3308337704 -0.3808255700 0.0000000000 0.0000000000 -0.3700707718 0.0000000000 0.0000000000
0.4556802254 -0.6232449802 1.0000000000 0.0000000000 -0.4204922615 1.0000000000 0.0000000000
0.1462920596 -0.1677863491 0.0000000000 1.0000000000 -0.2313901687 0.0000000000 1.0000000000
3 2 2 1 1
1.1850000000 1.0000000000
#
O TZV2P-GTH
2
2 0 1 5 3 3
10.2674419938 0.0989598460 0.0000000000 0.0000000000 -0.0595856940 0.0000000000 0.0000000000
3.7480495696 0.1041178339 0.0000000000 0.0000000000 -0.1875649045 0.0000000000 0.0000000000
1.3308337704 -0.3808255700 0.0000000000 0.0000000000 -0.3700707718 0.0000000000 0.0000000000
0.4556802254 -0.6232449802 1.0000000000 0.0000000000 -0.4204922615 1.0000000000 0.0000000000
0.1462920596 -0.1677863491 0.0000000000 1.0000000000 -0.2313901687 0.0000000000 1.0000000000
3 2 2 2 2
2.3140000000 1.0000000000 0.0000000000
0.6450000000 0.0000000000 1.0000000000
#
O QZV2P-GTH
2
2 0 1 6 4 4
11.8298677444 -0.0658681959 0.0000000000 0.0000000000 0.0000000000 0.0389990698 0.0000000000 0.0000000000 0.0000000000
4.9326307395 -0.1327117781 0.0000000000 0.0000000000 0.0000000000 0.1329824319 0.0000000000 0.0000000000 0.0000000000
1.9312997298 0.1529660213 0.0000000000 0.0000000000 0.0000000000 0.2737974007 0.0000000000 0.0000000000 0.0000000000
0.7724003899 0.5206439978 1.0000000000 0.0000000000 0.0000000000 0.3663338041 1.0000000000 0.0000000000 0.0000000000
0.2976334392 0.4322622254 0.0000000000 1.0000000000 0.0000000000 0.3292638764 0.0000000000 1.0000000000 0.0000000000
0.1070061063 0.0599977177 0.0000000000 0.0000000000 1.0000000000 0.1324571183 0.0000000000 0.0000000000 1.0000000000
3 2 2 2 2
2.3140000000 1.0000000000 0.0000000000
0.6450000000 0.0000000000 1.0000000000
#
O QZV3P-GTH
2
2 0 1 6 4 4
11.8298677444 -0.0658681959 0.0000000000 0.0000000000 0.0000000000 0.0389990698 0.0000000000 0.0000000000 0.0000000000
4.9326307395 -0.1327117781 0.0000000000 0.0000000000 0.0000000000 0.1329824319 0.0000000000 0.0000000000 0.0000000000
1.9312997298 0.1529660213 0.0000000000 0.0000000000 0.0000000000 0.2737974007 0.0000000000 0.0000000000 0.0000000000
0.7724003899 0.5206439978 1.0000000000 0.0000000000 0.0000000000 0.3663338041 1.0000000000 0.0000000000 0.0000000000
0.2976334392 0.4322622254 0.0000000000 1.0000000000 0.0000000000 0.3292638764 0.0000000000 1.0000000000 0.0000000000
0.1070061063 0.0599977177 0.0000000000 0.0000000000 1.0000000000 0.1324571183 0.0000000000 0.0000000000 1.0000000000
3 2 2 3 3
3.7750000000 1.0000000000 0.0000000000 0.0000000000
1.3000000000 0.0000000000 1.0000000000 0.0000000000
0.4440000000 0.0000000000 0.0000000000 1.0000000000
#
O aug-DZVP-GTH
4
2 0 1 4 2 2
8.3043855492 0.1510165999 0.0000000000 -0.0995679273 0.0000000000
2.4579484191 -0.0393195364 0.0000000000 -0.3011422449 0.0000000000
0.7597373434 -0.6971724029 0.0000000000 -0.4750857083 0.0000000000
0.2136388632 -0.3841133622 1.0000000000 -0.3798777957 1.0000000000
3 2 2 1 1
1.1850000000 1.0000000000
4 0 0 1 1
0.0789600000 1.0000000000
4 1 1 1 1
0.0685600000 1.0000000000
#
O aug-TZVP-GTH
4
2 0 1 5 3 3
10.2674419938 0.0989598460 0.0000000000 0.0000000000 -0.0595856940 0.0000000000 0.0000000000 0.0000000000
3.7480495696 0.1041178339 0.0000000000 0.0000000000 -0.1875649045 0.0000000000 0.0000000000 0.0000000000
1.3308337704 -0.3808255700 0.0000000000 0.0000000000 -0.3700707718 0.0000000000 0.0000000000 0.0000000000
0.4556802254 -0.6232449802 1.0000000000 0.0000000000 -0.4204922615 1.0000000000 0.0000000000 0.0000000000
0.1462920596 -0.1677863491 0.0000000000 1.0000000000 -0.2313901687 0.0000000000 1.0000000000 0.0000000000
3 2 2 1 1
1.1850000000 1.0000000000
5 0 0 1 1
0.0737600000 1.0000000000
5 1 1 1 1
0.0597400000 1.0000000000
#
O aug-TZV2P-GTH
4
2 0 1 5 3 3
10.2674419938 0.0989598460 0.0000000000 0.0000000000 -0.0595856940 0.0000000000 0.0000000000 0.0000000000
3.7480495696 0.1041178339 0.0000000000 0.0000000000 -0.1875649045 0.0000000000 0.0000000000 0.0000000000
1.3308337704 -0.3808255700 0.0000000000 0.0000000000 -0.3700707718 0.0000000000 0.0000000000 0.0000000000
0.4556802254 -0.6232449802 1.0000000000 0.0000000000 -0.4204922615 1.0000000000 0.0000000000 0.0000000000
0.1462920596 -0.1677863491 0.0000000000 1.0000000000 -0.2313901687 0.0000000000 1.0000000000 0.0000000000
3 2 2 2 2
2.3140000000 1.0000000000 0.0000000000
0.6450000000 0.0000000000 1.0000000000
5 0 0 1 1
0.0737600000 1.0000000000
5 1 1 1 1
0.0597400000 1.0000000000
#
O aug-QZV2P-GTH
4
2 0 1 6 4 4
11.8298677444 -0.0658681959 0.0000000000 0.0000000000 0.0000000000 0.0389990698 0.0000000000 0.0000000000 0.0000000000
4.9326307395 -0.1327117781 0.0000000000 0.0000000000 0.0000000000 0.1329824319 0.0000000000 0.0000000000 0.0000000000
1.9312997298 0.1529660213 0.0000000000 0.0000000000 0.0000000000 0.2737974007 0.0000000000 0.0000000000 0.0000000000
0.7724003899 0.5206439978 1.0000000000 0.0000000000 0.0000000000 0.3663338041 1.0000000000 0.0000000000 0.0000000000
0.2976334392 0.4322622254 0.0000000000 1.0000000000 0.0000000000 0.3292638764 0.0000000000 1.0000000000 0.0000000000
0.1070061063 0.0599977177 0.0000000000 0.0000000000 1.0000000000 0.1324571183 0.0000000000 0.0000000000 1.0000000000
3 2 2 2 2
2.3140000000 1.0000000000 0.0000000000
0.6450000000 0.0000000000 1.0000000000
6 0 0 1 1
0.0695900000 1.0000000000
6 1 1 1 1
0.0534800000 1.0000000000
#
O aug-QZV3P-GTH
4
2 0 1 6 4 4
11.8298677444 -0.0658681959 0.0000000000 0.0000000000 0.0000000000 0.0389990698 0.0000000000 0.0000000000 0.0000000000
4.9326307395 -0.1327117781 0.0000000000 0.0000000000 0.0000000000 0.1329824319 0.0000000000 0.0000000000 0.0000000000
1.9312997298 0.1529660213 0.0000000000 0.0000000000 0.0000000000 0.2737974007 0.0000000000 0.0000000000 0.0000000000
0.7724003899 0.5206439978 1.0000000000 0.0000000000 0.0000000000 0.3663338041 1.0000000000 0.0000000000 0.0000000000
0.2976334392 0.4322622254 0.0000000000 1.0000000000 0.0000000000 0.3292638764 0.0000000000 1.0000000000 0.0000000000
0.1070061063 0.0599977177 0.0000000000 0.0000000000 1.0000000000 0.1324571183 0.0000000000 0.0000000000 1.0000000000
3 2 2 3 3
3.7750000000 1.0000000000 0.0000000000 0.0000000000
1.3000000000 0.0000000000 1.0000000000 0.0000000000
0.4440000000 0.0000000000 0.0000000000 1.0000000000
6 0 0 1 1
0.0695900000 1.0000000000
6 1 1 1 1
0.0534800000 1.0000000000
#
F SZV-GTH
1
2 0 1 4 1 1
10.7079832847 0.1525178777 -0.1028649478
3.1757210204 -0.0450363043 -0.3085265610
0.9750975650 -0.6987425604 -0.4757649909
0.2701246771 -0.3801470341 -0.3724954705
#
F DZVP-GTH
2
2 0 1 4 2 2
10.7079832847 0.1525178777 0.0000000000 -0.1028649478 0.0000000000
3.1757210204 -0.0450363043 0.0000000000 -0.3085265610 0.0000000000
0.9750975650 -0.6987425604 0.0000000000 -0.4757649909 0.0000000000
0.2701246771 -0.3801470341 1.0000000000 -0.3724954705 1.0000000000
3 2 2 1 1
1.6400000000 1.0000000000
#
F TZVP-GTH
2
2 0 1 5 3 3
13.1625129789 0.1014784435 0.0000000000 0.0000000000 -0.0624161251 0.0000000000 0.0000000000
4.7972015127 0.1001604122 0.0000000000 0.0000000000 -0.1948710850 0.0000000000 0.0000000000
1.7049975196 -0.3881644200 0.0000000000 0.0000000000 -0.3737338926 0.0000000000 0.0000000000
0.5814471097 -0.6179394476 1.0000000000 0.0000000000 -0.4151939502 1.0000000000 0.0000000000
0.1842582220 -0.1660215122 0.0000000000 1.0000000000 -0.2267411587 0.0000000000 1.0000000000
3 2 2 1 1
1.6400000000 1.0000000000
#
F TZV2P-GTH
2
2 0 1 5 3 3
13.1625129789 0.1014784435 0.0000000000 0.0000000000 -0.0624161251 0.0000000000 0.0000000000
4.7972015127 0.1001604122 0.0000000000 0.0000000000 -0.1948710850 0.0000000000 0.0000000000
1.7049975196 -0.3881644200 0.0000000000 0.0000000000 -0.3737338926 0.0000000000 0.0000000000
0.5814471097 -0.6179394476 1.0000000000 0.0000000000 -0.4151939502 1.0000000000 0.0000000000
0.1842582220 -0.1660215122 0.0000000000 1.0000000000 -0.2267411587 0.0000000000 1.0000000000
3 2 2 2 2
3.1070000000 1.0000000000 0.0000000000
0.8550000000 0.0000000000 1.0000000000
#
F QZV2P-GTH
2
2 0 1 6 4 4
15.1623003547 -0.0676084899 0.0000000000 0.0000000000 0.0000000000 0.0407647530 0.0000000000 0.0000000000 0.0000000000
6.3418425141 -0.1317375108 0.0000000000 0.0000000000 0.0000000000 0.1374408584 0.0000000000 0.0000000000 0.0000000000
2.4900230297 0.1587177173 0.0000000000 0.0000000000 0.0000000000 0.2789708771 0.0000000000 0.0000000000 0.0000000000
0.9919240308 0.5210056191 1.0000000000 0.0000000000 0.0000000000 0.3662011969 1.0000000000 0.0000000000 0.0000000000
0.3793151196 0.4286790556 0.0000000000 1.0000000000 0.0000000000 0.3234540792 0.0000000000 1.0000000000 0.0000000000
0.1348132586 0.0598520782 0.0000000000 0.0000000000 1.0000000000 0.1307942509 0.0000000000 0.0000000000 1.0000000000
3 2 2 2 2
3.1070000000 1.0000000000 0.0000000000
0.8550000000 0.0000000000 1.0000000000
#
F QZV3P-GTH
2
2 0 1 6 4 4
15.1623003547 -0.0676084899 0.0000000000 0.0000000000 0.0000000000 0.0407647530 0.0000000000 0.0000000000 0.0000000000
6.3418425141 -0.1317375108 0.0000000000 0.0000000000 0.0000000000 0.1374408584 0.0000000000 0.0000000000 0.0000000000
2.4900230297 0.1587177173 0.0000000000 0.0000000000 0.0000000000 0.2789708771 0.0000000000 0.0000000000 0.0000000000
0.9919240308 0.5210056191 1.0000000000 0.0000000000 0.0000000000 0.3662011969 1.0000000000 0.0000000000 0.0000000000
0.3793151196 0.4286790556 0.0000000000 1.0000000000 0.0000000000 0.3234540792 0.0000000000 1.0000000000 0.0000000000
0.1348132586 0.0598520782 0.0000000000 0.0000000000 1.0000000000 0.1307942509 0.0000000000 0.0000000000 1.0000000000
3 2 2 3 3
5.0140000000 1.0000000000 0.0000000000 0.0000000000
1.7250000000 0.0000000000 1.0000000000 0.0000000000
0.5860000000 0.0000000000 0.0000000000 1.0000000000
#
F aug-DZVP-GTH
4
2 0 1 4 2 2
10.7079832847 0.1525178777 0.0000000000 -0.1028649478 0.0000000000
3.1757210204 -0.0450363043 0.0000000000 -0.3085265610 0.0000000000
0.9750975650 -0.6987425604 0.0000000000 -0.4757649909 0.0000000000
0.2701246771 -0.3801470341 1.0000000000 -0.3724954705 1.0000000000
3 2 2 1 1
1.6400000000 1.0000000000
2 0 0 1 1
0.09863000 1.0000000000
2 1 1 1 1
0.08502000 1.0000000000
#
F aug-TZVP-GTH
4
2 0 1 5 3 3
13.1625129789 0.1014784435 0.0000000000 0.0000000000 -0.0624161251 0.0000000000 0.0000000000
4.7972015127 0.1001604122 0.0000000000 0.0000000000 -0.1948710850 0.0000000000 0.0000000000
1.7049975196 -0.3881644200 0.0000000000 0.0000000000 -0.3737338926 0.0000000000 0.0000000000
0.5814471097 -0.6179394476 1.0000000000 0.0000000000 -0.4151939502 1.0000000000 0.0000000000
0.1842582220 -0.1660215122 0.0000000000 1.0000000000 -0.2267411587 0.0000000000 1.0000000000
3 2 2 1 1
1.6400000000 1.0000000000
2 0 0 1 1
0.09158000 1.0000000000
2 1 1 1 1
0.07361000 1.0000000000
#
F aug-TZV2P-GTH
4
2 0 1 5 3 3
13.1625129789 0.1014784435 0.0000000000 0.0000000000 -0.0624161251 0.0000000000 0.0000000000
4.7972015127 0.1001604122 0.0000000000 0.0000000000 -0.1948710850 0.0000000000 0.0000000000
1.7049975196 -0.3881644200 0.0000000000 0.0000000000 -0.3737338926 0.0000000000 0.0000000000
0.5814471097 -0.6179394476 1.0000000000 0.0000000000 -0.4151939502 1.0000000000 0.0000000000
0.1842582220 -0.1660215122 0.0000000000 1.0000000000 -0.2267411587 0.0000000000 1.0000000000
3 2 2 2 2
3.1070000000 1.0000000000 0.0000000000
0.8550000000 0.0000000000 1.0000000000
2 0 0 1 1
0.09158000 1.0000000000
2 1 1 1 1
0.07361000 1.0000000000
#
F aug-QZV2P-GTH
4
2 0 1 6 4 4
15.1623003547 -0.0676084899 0.0000000000 0.0000000000 0.0000000000 0.0407647530 0.0000000000 0.0000000000 0.0000000000
6.3418425141 -0.1317375108 0.0000000000 0.0000000000 0.0000000000 0.1374408584 0.0000000000 0.0000000000 0.0000000000
2.4900230297 0.1587177173 0.0000000000 0.0000000000 0.0000000000 0.2789708771 0.0000000000 0.0000000000 0.0000000000
0.9919240308 0.5210056191 1.0000000000 0.0000000000 0.0000000000 0.3662011969 1.0000000000 0.0000000000 0.0000000000
0.3793151196 0.4286790556 0.0000000000 1.0000000000 0.0000000000 0.3234540792 0.0000000000 1.0000000000 0.0000000000
0.1348132586 0.0598520782 0.0000000000 0.0000000000 1.0000000000 0.1307942509 0.0000000000 0.0000000000 1.0000000000
3 2 2 2 2
3.1070000000 1.0000000000 0.0000000000
0.8550000000 0.0000000000 1.0000000000
2 0 0 1 1
0.08594000 1.0000000000
2 1 1 1 1
0.06568000 1.0000000000
#
F aug-QZV3P-GTH
4
2 0 1 6 4 4
15.1623003547 -0.0676084899 0.0000000000 0.0000000000 0.0000000000 0.0407647530 0.0000000000 0.0000000000 0.0000000000
6.3418425141 -0.1317375108 0.0000000000 0.0000000000 0.0000000000 0.1374408584 0.0000000000 0.0000000000 0.0000000000
2.4900230297 0.1587177173 0.0000000000 0.0000000000 0.0000000000 0.2789708771 0.0000000000 0.0000000000 0.0000000000
0.9919240308 0.5210056191 1.0000000000 0.0000000000 0.0000000000 0.3662011969 1.0000000000 0.0000000000 0.0000000000
0.3793151196 0.4286790556 0.0000000000 1.0000000000 0.0000000000 0.3234540792 0.0000000000 1.0000000000 0.0000000000
0.1348132586 0.0598520782 0.0000000000 0.0000000000 1.0000000000 0.1307942509 0.0000000000 0.0000000000 1.0000000000
3 2 2 3 3
5.0140000000 1.0000000000 0.0000000000 0.0000000000
1.7250000000 0.0000000000 1.0000000000 0.0000000000
0.5860000000 0.0000000000 0.0000000000 1.0000000000
2 0 0 1 1
0.08594000 1.0000000000
2 1 1 1 1
0.06568000 1.0000000000
#
Ne SZV-GTH
1
2 0 1 4 1 1
13.7594449156 0.1483426747 -0.1044041225
4.0425282819 -0.0356307196 -0.3108899020
1.2355181615 -0.7010729520 -0.4760216511
0.3367029925 -0.3841118307 -0.3721570391
#
Ne DZVP-GTH
2
2 0 1 4 2 2
13.7594449156 0.1483426747 0.0000000000 -0.1044041225 0.0000000000
4.0425282819 -0.0356307196 0.0000000000 -0.3108899020 0.0000000000
1.2355181615 -0.7010729520 0.0000000000 -0.4760216511 0.0000000000
0.3367029925 -0.3841118307 1.0000000000 -0.3721570391 1.0000000000
3 2 2 1 1
2.2020000000 1.0000000000
#
Ne TZVP-GTH
2
2 0 1 5 3 3
17.0406976441 0.0956582854 0.0000000000 0.0000000000 -0.0631287607 0.0000000000 0.0000000000
6.1494859942 0.1095546500 0.0000000000 0.0000000000 -0.1953504506 0.0000000000 0.0000000000
2.1810891675 -0.3850952695 0.0000000000 0.0000000000 -0.3747245390 0.0000000000 0.0000000000
0.7370336206 -0.6201458095 1.0000000000 0.0000000000 -0.4151315545 1.0000000000 0.0000000000
0.2296296929 -0.1719183539 0.0000000000 1.0000000000 -0.2286539782 0.0000000000 1.0000000000
3 2 2 1 1
2.2020000000 1.0000000000
#
Ne TZV2P-GTH
2
2 0 1 5 3 3
17.0406976441 0.0956582854 0.0000000000 0.0000000000 -0.0631287607 0.0000000000 0.0000000000
6.1494859942 0.1095546500 0.0000000000 0.0000000000 -0.1953504506 0.0000000000 0.0000000000
2.1810891675 -0.3850952695 0.0000000000 0.0000000000 -0.3747245390 0.0000000000 0.0000000000
0.7370336206 -0.6201458095 1.0000000000 0.0000000000 -0.4151315545 1.0000000000 0.0000000000
0.2296296929 -0.1719183539 0.0000000000 1.0000000000 -0.2286539782 0.0000000000 1.0000000000
3 2 2 2 2
4.0140000000 1.0000000000 0.0000000000
1.0960000000 0.0000000000 1.0000000000
#
Ne QZV2P-GTH
2
2 0 1 6 4 4
19.5499411153 -0.0632766758 0.0000000000 0.0000000000 0.0000000000 0.0422167837 0.0000000000 0.0000000000 0.0000000000
8.0769601838 -0.1370919085 0.0000000000 0.0000000000 0.0000000000 0.1383304483 0.0000000000 0.0000000000 0.0000000000
3.1678758504 0.1578325934 0.0000000000 0.0000000000 0.0000000000 0.2813677061 0.0000000000 0.0000000000 0.0000000000
1.2535625634 0.5200705489 1.0000000000 0.0000000000 0.0000000000 0.3669217463 1.0000000000 0.0000000000 0.0000000000
0.4749693396 0.4313985613 0.0000000000 1.0000000000 0.0000000000 0.3213403173 0.0000000000 1.0000000000 0.0000000000
0.1666682167 0.0613040256 0.0000000000 0.0000000000 1.0000000000 0.1317714527 0.0000000000 0.0000000000 1.0000000000
3 2 2 2 2
4.0140000000 1.0000000000 0.0000000000
1.0960000000 0.0000000000 1.0000000000
#
Ne QZV3P-GTH
2
2 0 1 6 4 4
19.5499411153 -0.0632766758 0.0000000000 0.0000000000 0.0000000000 0.0422167837 0.0000000000 0.0000000000 0.0000000000
8.0769601838 -0.1370919085 0.0000000000 0.0000000000 0.0000000000 0.1383304483 0.0000000000 0.0000000000 0.0000000000
3.1678758504 0.1578325934 0.0000000000 0.0000000000 0.0000000000 0.2813677061 0.0000000000 0.0000000000 0.0000000000
1.2535625634 0.5200705489 1.0000000000 0.0000000000 0.0000000000 0.3669217463 1.0000000000 0.0000000000 0.0000000000
0.4749693396 0.4313985613 0.0000000000 1.0000000000 0.0000000000 0.3213403173 0.0000000000 1.0000000000 0.0000000000
0.1666682167 0.0613040256 0.0000000000 0.0000000000 1.0000000000 0.1317714527 0.0000000000 0.0000000000 1.0000000000
3 2 2 3 3
6.4710000000 1.0000000000 0.0000000000 0.0000000000
2.2130000000 0.0000000000 1.0000000000 0.0000000000
0.7470000000 0.0000000000 0.0000000000 1.0000000000
#
Na SZV-GTH
1
2 0 1 6 2 1
17.6698382207 -0.1362364777 0.0270957219 0.0791980974
6.9070658063 -0.0645835666 0.0098734119 0.2184139257
2.6098601451 0.3866153961 -0.0737170396 0.3764887364
0.9649548796 0.5971358883 -0.2186742776 0.3922304007
0.3400348369 0.1756697026 -0.0301066303 0.1808407220
0.0432486046 -0.0017104621 1.0388865857 0.0057696324
#
Na DZVP-GTH
2
2 0 1 6 3 2
17.6698382207 -0.1362364777 0.0270957219 0.0000000000 0.0791980974 0.0000000000
6.9070658063 -0.0645835666 0.0098734119 0.0000000000 0.2184139257 0.0000000000
2.6098601451 0.3866153961 -0.0737170396 0.0000000000 0.3764887364 0.0000000000
0.9649548796 0.5971358883 -0.2186742776 0.0000000000 0.3922304007 0.0000000000
0.3400348369 0.1756697026 -0.0301066303 0.0000000000 0.1808407220 0.0000000000
0.0432486046 -0.0017104621 1.0388865857 1.0000000000 0.0057696324 1.0000000000
3 2 2 1 1
0.0973000000 1.0000000000
#
Na TZVP-GTH
2
2 0 1 7 4 3
18.1210741090 -0.1275232222 -0.0248047945 0.0000000000 0.0000000000 0.0729874345 0.0000000000 0.0000000000
7.3775066400 -0.0812376594 -0.0171596817 0.0000000000 0.0000000000 0.1996717590 0.0000000000 0.0000000000
2.8817585986 0.3277442268 0.0724090847 0.0000000000 0.0000000000 0.3527504683 0.0000000000 0.0000000000
1.0990235357 0.5946658147 0.1739886836 0.0000000000 0.0000000000 0.3936231447 0.0000000000 0.0000000000
0.4007387720 0.2436047977 0.1404493622 0.0000000000 0.0000000000 0.2171401481 0.0000000000 0.0000000000
0.0916859420 -0.0017574619 -0.3860533721 1.0000000000 0.0000000000 0.0205070521 1.0000000000 0.0000000000
0.0309750158 0.0016745741 -0.7360619920 0.0000000000 1.0000000000 -0.0045593404 0.0000000000 1.0000000000
3 2 2 1 1
0.0973000000 1.0000000000
#
Na TZV2P-GTH
2
2 0 1 7 4 3
18.1210741090 -0.1275232222 -0.0248047945 0.0000000000 0.0000000000 0.0729874345 0.0000000000 0.0000000000
7.3775066400 -0.0812376594 -0.0171596817 0.0000000000 0.0000000000 0.1996717590 0.0000000000 0.0000000000
2.8817585986 0.3277442268 0.0724090847 0.0000000000 0.0000000000 0.3527504683 0.0000000000 0.0000000000
1.0990235357 0.5946658147 0.1739886836 0.0000000000 0.0000000000 0.3936231447 0.0000000000 0.0000000000
0.4007387720 0.2436047977 0.1404493622 0.0000000000 0.0000000000 0.2171401481 0.0000000000 0.0000000000
0.0916859420 -0.0017574619 -0.3860533721 1.0000000000 0.0000000000 0.0205070521 1.0000000000 0.0000000000
0.0309750158 0.0016745741 -0.7360619920 0.0000000000 1.0000000000 -0.0045593404 0.0000000000 1.0000000000
3 2 2 2 2
0.1367000000 1.0000000000 0.0000000000
0.0636000000 0.0000000000 1.0000000000
#
Na QZV2P-GTH
2
2 0 1 8 5 4
19.7241294087 0.0964646065 0.0186968769 0.0000000000 0.0000000000 0.0000000000 -0.0533754431 0.0000000000 0.0000000000 0.0000000000
9.3287912748 0.1166761476 0.0236192089 0.0000000000 0.0000000000 0.0000000000 -0.1400719948 0.0000000000 0.0000000000 0.0000000000
4.1199901709 -0.1393562188 -0.0290484898 0.0000000000 0.0000000000 0.0000000000 -0.2641114390 0.0000000000 0.0000000000 0.0000000000
1.7720338111 -0.4584822127 -0.1108583114 0.0000000000 0.0000000000 0.0000000000 -0.3519032892 0.0000000000 0.0000000000 0.0000000000
0.7498415377 -0.4636596929 -0.1735322668 0.0000000000 0.0000000000 0.0000000000 -0.3064604543 0.0000000000 0.0000000000 0.0000000000
0.2996060606 -0.1092610807 -0.0565756124 1.0000000000 0.0000000000 0.0000000000 -0.1309377611 1.0000000000 0.0000000000 0.0000000000
0.0698044897 0.0012749633 0.5743314061 0.0000000000 1.0000000000 0.0000000000 -0.0074120120 0.0000000000 1.0000000000 0.0000000000
0.0255058383 -0.0006119521 0.5364207511 0.0000000000 0.0000000000 1.0000000000 0.0017424530 0.0000000000 0.0000000000 1.0000000000
3 2 2 2 2
0.1367000000 1.0000000000 0.0000000000
0.0636000000 0.0000000000 1.0000000000
#
Na QZV3P-GTH
2
2 0 1 8 5 4
19.7241294087 0.0964646065 0.0186968769 0.0000000000 0.0000000000 0.0000000000 -0.0533754431 0.0000000000 0.0000000000 0.0000000000
9.3287912748 0.1166761476 0.0236192089 0.0000000000 0.0000000000 0.0000000000 -0.1400719948 0.0000000000 0.0000000000 0.0000000000
4.1199901709 -0.1393562188 -0.0290484898 0.0000000000 0.0000000000 0.0000000000 -0.2641114390 0.0000000000 0.0000000000 0.0000000000
1.7720338111 -0.4584822127 -0.1108583114 0.0000000000 0.0000000000 0.0000000000 -0.3519032892 0.0000000000 0.0000000000 0.0000000000
0.7498415377 -0.4636596929 -0.1735322668 0.0000000000 0.0000000000 0.0000000000 -0.3064604543 0.0000000000 0.0000000000 0.0000000000
0.2996060606 -0.1092610807 -0.0565756124 1.0000000000 0.0000000000 0.0000000000 -0.1309377611 1.0000000000 0.0000000000 0.0000000000
0.0698044897 0.0012749633 0.5743314061 0.0000000000 1.0000000000 0.0000000000 -0.0074120120 0.0000000000 1.0000000000 0.0000000000
0.0255058383 -0.0006119521 0.5364207511 0.0000000000 0.0000000000 1.0000000000 0.0017424530 0.0000000000 0.0000000000 1.0000000000
3 2 2 3 3
0.1538000000 1.0000000000 0.0000000000 0.0000000000
0.0865000000 0.0000000000 1.0000000000 0.0000000000
0.0487000000 0.0000000000 0.0000000000 1.0000000000
#
Mg SZV-GTH
1
2 0 1 6 2 1
28.4894000448 -0.0662729183 0.0165018731 0.0464558886
11.7278204570 -0.1706135571 0.0374283767 0.1664914738
4.4443941842 0.2494781478 -0.0517347280 0.3580941241
1.6070266284 0.6423214818 -0.2647624258 0.4356599896
0.5690630460 0.2933234669 -0.0948461091 0.2229558550
0.0763496459 -0.0002717019 1.0630071183 0.0085986529
#
Mg DZVP-GTH
2
2 0 1 6 3 2
28.4894000448 -0.0662729183 0.0165018731 0.0000000000 0.0464558886 0.0000000000
11.7278204570 -0.1706135571 0.0374283767 0.0000000000 0.1664914738 0.0000000000
4.4443941842 0.2494781478 -0.0517347280 0.0000000000 0.3580941241 0.0000000000
1.6070266284 0.6423214818 -0.2647624258 0.0000000000 0.4356599896 0.0000000000
0.5690630460 0.2933234669 -0.0948461091 0.0000000000 0.2229558550 0.0000000000
0.0763496459 -0.0002717019 1.0630071183 1.0000000000 0.0085986529 1.0000000000
3 2 2 1 1
0.1870000000 1.0000000000
#
Mg TZVP-GTH
2
2 0 1 7 4 3
32.6102127160 -0.0379330911 -0.0088936017 0.0000000000 0.0000000000 0.0307150457 0.0000000000 0.0000000000
14.0525311690 -0.1824731301 -0.0446185212 0.0000000000 0.0000000000 0.1365611853 0.0000000000 0.0000000000
5.3750565930 0.1414840059 0.0361139004 0.0000000000 0.0000000000 0.3216977104 0.0000000000 0.0000000000
1.9603294652 0.6092794423 0.1991926589 0.0000000000 0.0000000000 0.4406864532 0.0000000000 0.0000000000
0.6985451378 0.4085543085 0.2360727936 0.0000000000 0.0000000000 0.2830209201 0.0000000000 0.0000000000
0.1599451430 0.0093835755 -0.4060439955 1.0000000000 0.0000000000 0.0314202293 1.0000000000 0.0000000000
0.0539901438 -0.0000358721 -0.7421716821 0.0000000000 1.0000000000 -0.0070197374 0.0000000000 1.0000000000
3 2 2 1 1
0.1870000000 1.0000000000
#
Mg TZV2P-GTH
2
2 0 1 7 4 3
32.6102127160 -0.0379330911 -0.0088936017 0.0000000000 0.0000000000 0.0307150457 0.0000000000 0.0000000000
14.0525311690 -0.1824731301 -0.0446185212 0.0000000000 0.0000000000 0.1365611853 0.0000000000 0.0000000000
5.3750565930 0.1414840059 0.0361139004 0.0000000000 0.0000000000 0.3216977104 0.0000000000 0.0000000000
1.9603294652 0.6092794423 0.1991926589 0.0000000000 0.0000000000 0.4406864532 0.0000000000 0.0000000000
0.6985451378 0.4085543085 0.2360727936 0.0000000000 0.0000000000 0.2830209201 0.0000000000 0.0000000000
0.1599451430 0.0093835755 -0.4060439955 1.0000000000 0.0000000000 0.0314202293 1.0000000000 0.0000000000
0.0539901438 -0.0000358721 -0.7421716821 0.0000000000 1.0000000000 -0.0070197374 0.0000000000 1.0000000000
3 2 2 2 2
0.2940000000 1.0000000000 0.0000000000
0.1260000000 0.0000000000 1.0000000000
#
Mg QZV2P-GTH
2
2 0 1 8 5 4
38.2989934401 0.0104376055 0.0024542703 0.0000000000 0.0000000000 0.0000000000 -0.0169307005 0.0000000000 0.0000000000 0.0000000000
18.2352594129 0.1600713964 0.0383890090 0.0000000000 0.0000000000 0.0000000000 -0.0880606004 0.0000000000 0.0000000000 0.0000000000
7.8322039250 0.0236151231 0.0063757667 0.0000000000 0.0000000000 0.0000000000 -0.2233078530 0.0000000000 0.0000000000 0.0000000000
3.2096669080 -0.3496886711 -0.0967311125 0.0000000000 0.0000000000 0.0000000000 -0.3590124156 0.0000000000 0.0000000000 0.0000000000
1.3215191150 -0.5744578292 -0.2302830710 0.0000000000 0.0000000000 0.0000000000 -0.3636484834 0.0000000000 0.0000000000 0.0000000000
0.5219034472 -0.2167187848 -0.1302378952 1.0000000000 0.0000000000 0.0000000000 -0.1772276014 1.0000000000 0.0000000000 0.0000000000
0.1263242017 -0.0012887617 0.5892536861 0.0000000000 1.0000000000 0.0000000000 -0.0121989604 0.0000000000 1.0000000000 0.0000000000
0.0449896165 -0.0003669674 0.5569471332 0.0000000000 0.0000000000 1.0000000000 0.0026934953 0.0000000000 0.0000000000 1.0000000000
3 2 2 2 2
0.2940000000 1.0000000000 0.0000000000
0.1260000000 0.0000000000 1.0000000000
#
Mg QZV3P-GTH
2
2 0 1 8 5 4
38.2989934401 0.0104376055 0.0024542703 0.0000000000 0.0000000000 0.0000000000 -0.0169307005 0.0000000000 0.0000000000 0.0000000000
18.2352594129 0.1600713964 0.0383890090 0.0000000000 0.0000000000 0.0000000000 -0.0880606004 0.0000000000 0.0000000000 0.0000000000
7.8322039250 0.0236151231 0.0063757667 0.0000000000 0.0000000000 0.0000000000 -0.2233078530 0.0000000000 0.0000000000 0.0000000000
3.2096669080 -0.3496886711 -0.0967311125 0.0000000000 0.0000000000 0.0000000000 -0.3590124156 0.0000000000 0.0000000000 0.0000000000
1.3215191150 -0.5744578292 -0.2302830710 0.0000000000 0.0000000000 0.0000000000 -0.3636484834 0.0000000000 0.0000000000 0.0000000000
0.5219034472 -0.2167187848 -0.1302378952 1.0000000000 0.0000000000 0.0000000000 -0.1772276014 1.0000000000 0.0000000000 0.0000000000
0.1263242017 -0.0012887617 0.5892536861 0.0000000000 1.0000000000 0.0000000000 -0.0121989604 0.0000000000 1.0000000000 0.0000000000
0.0449896165 -0.0003669674 0.5569471332 0.0000000000 0.0000000000 1.0000000000 0.0026934953 0.0000000000 0.0000000000 1.0000000000
3 2 2 3 3
0.3570000000 1.0000000000 0.0000000000 0.0000000000
0.1944000000 0.0000000000 1.0000000000 0.0000000000
0.1060000000 0.0000000000 0.0000000000 1.0000000000
#
Al SZV-GTH
1
3 0 1 4 1 1
0.9504275958 0.2820078575 0.0257257859
0.2947366659 -0.2787607042 -0.2528156908
0.1124426785 -0.7494973519 -0.5124696636
0.0396003631 -0.1645895071 -0.3831165034
#
Al DZVP-GTH
2
3 0 1 4 2 2
0.9504275958 0.2820078575 0.0000000000 0.0257257859 0.0000000000
0.2947366659 -0.2787607042 0.0000000000 -0.2528156908 0.0000000000
0.1124426785 -0.7494973519 0.0000000000 -0.5124696636 0.0000000000
0.0396003631 -0.1645895071 1.0000000000 -0.3831165034 1.0000000000
3 2 2 1 1
0.1890000000 1.0000000000
#
Al TZVP-GTH
2
3 0 1 5 3 3
0.9710403542 0.2731273083 0.0000000000 0.0000000000 0.0318495312 0.0000000000 0.0000000000
0.3604758056 -0.1164353642 0.0000000000 0.0000000000 -0.1582365164 0.0000000000 0.0000000000
0.1582849401 -0.6159606293 0.0000000000 0.0000000000 -0.3791239519 0.0000000000 0.0000000000
0.0674736203 -0.4172871263 1.0000000000 0.0000000000 -0.4457455282 1.0000000000 0.0000000000
0.0267010818 -0.0326661237 0.0000000000 1.0000000000 -0.1788784308 0.0000000000 1.0000000000
3 2 2 1 1
0.1890000000 1.0000000000
#
Al TZV2P-GTH
2
3 0 1 5 3 3
0.9710403542 0.2731273083 0.0000000000 0.0000000000 0.0318495312 0.0000000000 0.0000000000
0.3604758056 -0.1164353642 0.0000000000 0.0000000000 -0.1582365164 0.0000000000 0.0000000000
0.1582849401 -0.6159606293 0.0000000000 0.0000000000 -0.3791239519 0.0000000000 0.0000000000
0.0674736203 -0.4172871263 1.0000000000 0.0000000000 -0.4457455282 1.0000000000 0.0000000000
0.0267010818 -0.0326661237 0.0000000000 1.0000000000 -0.1788784308 0.0000000000 1.0000000000
3 2 2 2 2
0.3330000000 1.0000000000 0.0000000000
0.1090000000 0.0000000000 1.0000000000
#
Al QZV2P-GTH
2
3 0 1 6 4 4
3.0705249839 0.0027352701 0.0000000000 0.0000000000 0.0000000000 0.0044124453 0.0000000000 0.0000000000 0.0000000000
0.9962478983 -0.2668117634 0.0000000000 0.0000000000 0.0000000000 -0.0401883011 0.0000000000 0.0000000000 0.0000000000
0.4094779636 0.0618740192 0.0000000000 0.0000000000 0.0000000000 0.1289865679 0.0000000000 0.0000000000 0.0000000000
0.1732890531 0.5987573069 1.0000000000 0.0000000000 0.0000000000 0.3723262575 1.0000000000 0.0000000000 0.0000000000
0.0723986239 0.4707960559 0.0000000000 1.0000000000 0.0000000000 0.4626980717 0.0000000000 1.0000000000 0.0000000000
0.0282432465 0.0425944411 0.0000000000 0.0000000000 1.0000000000 0.2032552207 0.0000000000 0.0000000000 1.0000000000
3 2 2 2 2
0.3330000000 1.0000000000 0.0000000000
0.1090000000 0.0000000000 1.0000000000
#
Al QZV3P-GTH
2
3 0 1 6 4 4
3.0705249839 0.0027352701 0.0000000000 0.0000000000 0.0000000000 0.0044124453 0.0000000000 0.0000000000 0.0000000000
0.9962478983 -0.2668117634 0.0000000000 0.0000000000 0.0000000000 -0.0401883011 0.0000000000 0.0000000000 0.0000000000
0.4094779636 0.0618740192 0.0000000000 0.0000000000 0.0000000000 0.1289865679 0.0000000000 0.0000000000 0.0000000000
0.1732890531 0.5987573069 1.0000000000 0.0000000000 0.0000000000 0.3723262575 1.0000000000 0.0000000000 0.0000000000
0.0723986239 0.4707960559 0.0000000000 1.0000000000 0.0000000000 0.4626980717 0.0000000000 1.0000000000 0.0000000000
0.0282432465 0.0425944411 0.0000000000 0.0000000000 1.0000000000 0.2032552207 0.0000000000 0.0000000000 1.0000000000
3 2 2 3 3
0.4940000000 1.0000000000 0.0000000000 0.0000000000
0.1990000000 0.0000000000 1.0000000000 0.0000000000
0.0804000000 0.0000000000 0.0000000000 1.0000000000
#
Si SZV-GTH
1
3 0 1 4 1 1
1.2032403600 0.3290356759 0.0474536439
0.4688385970 -0.2533162616 -0.2594495462
0.1679853910 -0.7870936517 -0.5440932235
0.0575616890 -0.1909870193 -0.3623984652
#
Si DZVP-GTH
2
3 0 1 4 2 2
1.2032403600 0.3290356759 0.0000000000 0.0474536439 0.0000000000
0.4688385970 -0.2533162616 0.0000000000 -0.2594495462 0.0000000000
0.1679853910 -0.7870936517 0.0000000000 -0.5440932235 0.0000000000
0.0575616890 -0.1909870193 1.0000000000 -0.3623984652 1.0000000000
3 2 2 1 1
0.2750000000 1.0000000000
#
Si TZVP-GTH
2
3 0 1 5 3 3
1.2331731434 0.3150424674 0.0000000000 0.0000000000 0.0667574395 0.0000000000 0.0000000000
0.6579957180 -0.0732928041 0.0000000000 0.0000000000 -0.1473516106 0.0000000000 0.0000000000
0.2547041526 -0.5862322199 0.0000000000 0.0000000000 -0.4034178654 0.0000000000 0.0000000000
0.1060089904 -0.5051712664 1.0000000000 0.0000000000 -0.4457008802 1.0000000000 0.0000000000
0.0418790646 -0.0507253610 0.0000000000 1.0000000000 -0.1941498294 0.0000000000 1.0000000000
3 2 2 1 1
0.2750000000 1.0000000000
#
Si TZV2P-GTH
2
3 0 1 5 3 3
1.2331731434 0.3150424674 0.0000000000 0.0000000000 0.0667574395 0.0000000000 0.0000000000
0.6579957180 -0.0732928041 0.0000000000 0.0000000000 -0.1473516106 0.0000000000 0.0000000000
0.2547041526 -0.5862322199 0.0000000000 0.0000000000 -0.4034178654 0.0000000000 0.0000000000
0.1060089904 -0.5051712664 1.0000000000 0.0000000000 -0.4457008802 1.0000000000 0.0000000000
0.0418790646 -0.0507253610 0.0000000000 1.0000000000 -0.1941498294 0.0000000000 1.0000000000
3 2 2 2 2
0.4810000000 1.0000000000 0.0000000000
0.1590000000 0.0000000000 1.0000000000
#
Si QZV2P-GTH
2
3 0 1 6 4 4
3.0914606934 0.0124908161 0.0000000000 0.0000000000 0.0000000000 -0.0027532026 0.0000000000 0.0000000000 0.0000000000
1.3362310368 -0.2927569134 0.0000000000 0.0000000000 0.0000000000 -0.0422856821 0.0000000000 0.0000000000 0.0000000000
0.5649726509 0.0456455175 0.0000000000 0.0000000000 0.0000000000 0.1468609670 0.0000000000 0.0000000000 0.0000000000
0.2466543506 0.6102734005 1.0000000000 0.0000000000 0.0000000000 0.3930678123 1.0000000000 0.0000000000 0.0000000000
0.1028862952 0.4799377663 0.0000000000 1.0000000000 0.0000000000 0.4491746304 0.0000000000 1.0000000000 0.0000000000
0.0403147900 0.0462217432 0.0000000000 0.0000000000 1.0000000000 0.1794865096 0.0000000000 0.0000000000 1.0000000000
3 2 2 2 2
0.4810000000 1.0000000000 0.0000000000
0.1590000000 0.0000000000 1.0000000000
#
Si QZV3P-GTH
2
3 0 1 6 4 4
3.0914606934 0.0124908161 0.0000000000 0.0000000000 0.0000000000 -0.0027532026 0.0000000000 0.0000000000 0.0000000000
1.3362310368 -0.2927569134 0.0000000000 0.0000000000 0.0000000000 -0.0422856821 0.0000000000 0.0000000000 0.0000000000
0.5649726509 0.0456455175 0.0000000000 0.0000000000 0.0000000000 0.1468609670 0.0000000000 0.0000000000 0.0000000000
0.2466543506 0.6102734005 1.0000000000 0.0000000000 0.0000000000 0.3930678123 1.0000000000 0.0000000000 0.0000000000
0.1028862952 0.4799377663 0.0000000000 1.0000000000 0.0000000000 0.4491746304 0.0000000000 1.0000000000 0.0000000000
0.0403147900 0.0462217432 0.0000000000 0.0000000000 1.0000000000 0.1794865096 0.0000000000 0.0000000000 1.0000000000
3 2 2 3 3
0.7600000000 1.0000000000 0.0000000000 0.0000000000
0.3020000000 0.0000000000 1.0000000000 0.0000000000
0.1200000000 0.0000000000 0.0000000000 1.0000000000
#
Si aug-DZVP-GTH
4
3 0 1 4 2 2
1.2032403600 0.3290356759 0.0000000000 0.0474536439 0.0000000000
0.4688385970 -0.2533162616 0.0000000000 -0.2594495462 0.0000000000
0.1679853910 -0.7870936517 0.0000000000 -0.5440932235 0.0000000000
0.0575616890 -0.1909870193 1.0000000000 -0.3623984652 1.0000000000
3 2 2 1 1
0.2750000000 1.0000000000
3 0 0 1 1
0.03320000 1.0000000000
3 1 1 1 1
0.02500000 1.0000000000
#
Si aug-TZVP-GTH
4
3 0 1 5 3 3
1.2331731434 0.3150424674 0.0000000000 0.0000000000 0.0667574395 0.0000000000 0.0000000000
0.6579957180 -0.0732928041 0.0000000000 0.0000000000 -0.1473516106 0.0000000000 0.0000000000
0.2547041526 -0.5862322199 0.0000000000 0.0000000000 -0.4034178654 0.0000000000 0.0000000000
0.1060089904 -0.5051712664 1.0000000000 0.0000000000 -0.4457008802 1.0000000000 0.0000000000
0.0418790646 -0.0507253610 0.0000000000 1.0000000000 -0.1941498294 0.0000000000 1.0000000000
3 2 2 1 1
0.2750000000 1.0000000000
3 0 0 1 1
0.03300000 1.0000000000
3 1 1 1 1
0.02370000 1.0000000000
#
Si aug-TZV2P-GTH
4
3 0 1 5 3 3
1.2331731434 0.3150424674 0.0000000000 0.0000000000 0.0667574395 0.0000000000 0.0000000000
0.6579957180 -0.0732928041 0.0000000000 0.0000000000 -0.1473516106 0.0000000000 0.0000000000
0.2547041526 -0.5862322199 0.0000000000 0.0000000000 -0.4034178654 0.0000000000 0.0000000000
0.1060089904 -0.5051712664 1.0000000000 0.0000000000 -0.4457008802 1.0000000000 0.0000000000
0.0418790646 -0.0507253610 0.0000000000 1.0000000000 -0.1941498294 0.0000000000 1.0000000000
3 2 2 2 2
0.4810000000 1.0000000000 0.0000000000
0.1590000000 0.0000000000 1.0000000000
3 0 0 1 1
0.03300000 1.0000000000
3 1 1 1 1
0.02370000 1.0000000000
#
Si aug-QZV2P-GTH
4
3 0 1 6 4 4
3.0914606934 0.0124908161 0.0000000000 0.0000000000 0.0000000000 -0.0027532026 0.0000000000 0.0000000000 0.0000000000
1.3362310368 -0.2927569134 0.0000000000 0.0000000000 0.0000000000 -0.0422856821 0.0000000000 0.0000000000 0.0000000000
0.5649726509 0.0456455175 0.0000000000 0.0000000000 0.0000000000 0.1468609670 0.0000000000 0.0000000000 0.0000000000
0.2466543506 0.6102734005 1.0000000000 0.0000000000 0.0000000000 0.3930678123 1.0000000000 0.0000000000 0.0000000000
0.1028862952 0.4799377663 0.0000000000 1.0000000000 0.0000000000 0.4491746304 0.0000000000 1.0000000000 0.0000000000
0.0403147900 0.0462217432 0.0000000000 0.0000000000 1.0000000000 0.1794865096 0.0000000000 0.0000000000 1.0000000000
3 2 2 2 2
0.4810000000 1.0000000000 0.0000000000
0.1590000000 0.0000000000 1.0000000000
3 0 0 1 1
0.02750000 1.0000000000
3 1 1 1 1
0.02000000 1.0000000000
#
Si aug-QZV3P-GTH
4
3 0 1 6 4 4
3.0914606934 0.0124908161 0.0000000000 0.0000000000 0.0000000000 -0.0027532026 0.0000000000 0.0000000000 0.0000000000
1.3362310368 -0.2927569134 0.0000000000 0.0000000000 0.0000000000 -0.0422856821 0.0000000000 0.0000000000 0.0000000000
0.5649726509 0.0456455175 0.0000000000 0.0000000000 0.0000000000 0.1468609670 0.0000000000 0.0000000000 0.0000000000
0.2466543506 0.6102734005 1.0000000000 0.0000000000 0.0000000000 0.3930678123 1.0000000000 0.0000000000 0.0000000000
0.1028862952 0.4799377663 0.0000000000 1.0000000000 0.0000000000 0.4491746304 0.0000000000 1.0000000000 0.0000000000
0.0403147900 0.0462217432 0.0000000000 0.0000000000 1.0000000000 0.1794865096 0.0000000000 0.0000000000 1.0000000000
3 2 2 3 3
0.7600000000 1.0000000000 0.0000000000 0.0000000000
0.3020000000 0.0000000000 1.0000000000 0.0000000000
0.1200000000 0.0000000000 0.0000000000 1.0000000000
3 0 0 1 1
0.02750000 1.0000000000
3 1 1 1 1
0.02000000 1.0000000000
#
P SZV-GTH
1
3 0 1 4 1 1
1.4960907993 0.3653124842 0.0816205767
0.7169067467 -0.2125748699 -0.2627397053
0.2411464781 -0.8136091436 -0.5627246555
0.0803414677 -0.2362413556 -0.3691448735
#
P DZVP-GTH
2
3 0 1 4 2 2
1.4960907993 0.3653124842 0.0000000000 0.0816205767 0.0000000000
0.7169067467 -0.2125748699 0.0000000000 -0.2627397053 0.0000000000
0.2411464781 -0.8136091436 0.0000000000 -0.5627246555 0.0000000000
0.0803414677 -0.2362413556 1.0000000000 -0.3691448735 1.0000000000
3 2 2 1 1
0.3730000000 1.0000000000
#
P TZVP-GTH
2
3 0 1 5 3 3
2.1996341190 -0.0704921557 0.0000000000 0.0000000000 0.0621639873 0.0000000000 0.0000000000
1.6369289280 0.3969825114 0.0000000000 0.0000000000 -0.0400911635 0.0000000000 0.0000000000
0.4970575820 -0.3512429748 0.0000000000 0.0000000000 -0.3338049853 0.0000000000 0.0000000000
0.1944032900 -0.7297176188 1.0000000000 0.0000000000 -0.5118382938 1.0000000000 0.0000000000
0.0699106580 -0.1421063788 0.0000000000 1.0000000000 -0.2909693679 0.0000000000 1.0000000000
3 2 2 1 1
0.3730000000 1.0000000000
#
P TZV2P-GTH
2
3 0 1 5 3 3
2.1996341190 -0.0704921557 0.0000000000 0.0000000000 0.0621639873 0.0000000000 0.0000000000
1.6369289280 0.3969825114 0.0000000000 0.0000000000 -0.0400911635 0.0000000000 0.0000000000
0.4970575820 -0.3512429748 0.0000000000 0.0000000000 -0.3338049853 0.0000000000 0.0000000000
0.1944032900 -0.7297176188 1.0000000000 0.0000000000 -0.5118382938 1.0000000000 0.0000000000
0.0699106580 -0.1421063788 0.0000000000 1.0000000000 -0.2909693679 0.0000000000 1.0000000000
3 2 2 2 2
0.6520000000 1.0000000000 0.0000000000
0.2160000000 0.0000000000 1.0000000000
#
P QZV2P-GTH
2
3 0 1 6 4 4
3.7552135262 0.0219221916 0.0000000000 0.0000000000 0.0000000000 -0.0089770006 0.0000000000 0.0000000000 0.0000000000
1.7140316717 -0.3135634867 0.0000000000 0.0000000000 0.0000000000 -0.0448447247 0.0000000000 0.0000000000 0.0000000000
0.7438335270 0.0341312768 0.0000000000 0.0000000000 0.0000000000 0.1612574940 0.0000000000 0.0000000000 0.0000000000
0.3280082762 0.6173246158 1.0000000000 0.0000000000 0.0000000000 0.4083320223 1.0000000000 0.0000000000 0.0000000000
0.1366188473 0.4868790477 0.0000000000 1.0000000000 0.0000000000 0.4366765007 0.0000000000 1.0000000000 0.0000000000
0.0534696687 0.0500106401 0.0000000000 0.0000000000 1.0000000000 0.1655268470 0.0000000000 0.0000000000 1.0000000000
3 2 2 2 2
0.6520000000 1.0000000000 0.0000000000
0.2160000000 0.0000000000 1.0000000000
#
P QZV3P-GTH
2
3 0 1 6 4 4
3.7552135262 0.0219221916 0.0000000000 0.0000000000 0.0000000000 -0.0089770006 0.0000000000 0.0000000000 0.0000000000
1.7140316717 -0.3135634867 0.0000000000 0.0000000000 0.0000000000 -0.0448447247 0.0000000000 0.0000000000 0.0000000000
0.7438335270 0.0341312768 0.0000000000 0.0000000000 0.0000000000 0.1612574940 0.0000000000 0.0000000000 0.0000000000
0.3280082762 0.6173246158 1.0000000000 0.0000000000 0.0000000000 0.4083320223 1.0000000000 0.0000000000 0.0000000000
0.1366188473 0.4868790477 0.0000000000 1.0000000000 0.0000000000 0.4366765007 0.0000000000 1.0000000000 0.0000000000
0.0534696687 0.0500106401 0.0000000000 0.0000000000 1.0000000000 0.1655268470 0.0000000000 0.0000000000 1.0000000000
3 2 2 3 3
1.0360000000 1.0000000000 0.0000000000 0.0000000000
0.4130000000 0.0000000000 1.0000000000 0.0000000000
0.1650000000 0.0000000000 0.0000000000 1.0000000000
#
P aug-DZVP-GTH
4
3 0 1 4 2 2
1.4960907993 0.3653124842 0.0000000000 0.0816205767 0.0000000000
0.7169067467 -0.2125748699 0.0000000000 -0.2627397053 0.0000000000
0.2411464781 -0.8136091436 0.0000000000 -0.5627246555 0.0000000000
0.0803414677 -0.2362413556 1.0000000000 -0.3691448735 1.0000000000
3 2 2 1 1
0.3730000000 1.0000000000
3 0 0 1 1
0.04170000 1.0000000000
3 1 1 1 1
0.03430000 1.0000000000
#
P aug-TZVP-GTH
4
3 0 1 5 3 3
2.1996341190 -0.0704921557 0.0000000000 0.0000000000 0.0621639873 0.0000000000 0.0000000000
1.6369289280 0.3969825114 0.0000000000 0.0000000000 -0.0400911635 0.0000000000 0.0000000000
0.4970575820 -0.3512429748 0.0000000000 0.0000000000 -0.3338049853 0.0000000000 0.0000000000
0.1944032900 -0.7297176188 1.0000000000 0.0000000000 -0.5118382938 1.0000000000 0.0000000000
0.0699106580 -0.1421063788 0.0000000000 1.0000000000 -0.2909693679 0.0000000000 1.0000000000
3 2 2 1 1
0.3730000000 1.0000000000
3 0 0 1 1
0.04090000 1.0000000000
3 1 1 1 1
0.03070000 1.0000000000
#
P aug-TZV2P-GTH
4
3 0 1 5 3 3
2.1996341190 -0.0704921557 0.0000000000 0.0000000000 0.0621639873 0.0000000000 0.0000000000
1.6369289280 0.3969825114 0.0000000000 0.0000000000 -0.0400911635 0.0000000000 0.0000000000
0.4970575820 -0.3512429748 0.0000000000 0.0000000000 -0.3338049853 0.0000000000 0.0000000000
0.1944032900 -0.7297176188 1.0000000000 0.0000000000 -0.5118382938 1.0000000000 0.0000000000
0.0699106580 -0.1421063788 0.0000000000 1.0000000000 -0.2909693679 0.0000000000 1.0000000000
3 2 2 2 2
0.6520000000 1.0000000000 0.0000000000
0.2160000000 0.0000000000 1.0000000000
3 0 0 1 1
0.04090000 1.0000000000
3 1 1 1 1
0.03070000 1.0000000000
#
P aug-QZV2P-GTH
4
3 0 1 6 4 4
3.7552135262 0.0219221916 0.0000000000 0.0000000000 0.0000000000 -0.0089770006 0.0000000000 0.0000000000 0.0000000000
1.7140316717 -0.3135634867 0.0000000000 0.0000000000 0.0000000000 -0.0448447247 0.0000000000 0.0000000000 0.0000000000
0.7438335270 0.0341312768 0.0000000000 0.0000000000 0.0000000000 0.1612574940 0.0000000000 0.0000000000 0.0000000000
0.3280082762 0.6173246158 1.0000000000 0.0000000000 0.0000000000 0.4083320223 1.0000000000 0.0000000000 0.0000000000
0.1366188473 0.4868790477 0.0000000000 1.0000000000 0.0000000000 0.4366765007 0.0000000000 1.0000000000 0.0000000000
0.0534696687 0.0500106401 0.0000000000 0.0000000000 1.0000000000 0.1655268470 0.0000000000 0.0000000000 1.0000000000
3 2 2 2 2
0.6520000000 1.0000000000 0.0000000000
0.2160000000 0.0000000000 1.0000000000
3 0 0 1 1
0.03540000 1.0000000000
3 1 1 1 1
0.02720000 1.0000000000
#
P aug-QZV3P-GTH
4
3 0 1 6 4 4
3.7552135262 0.0219221916 0.0000000000 0.0000000000 0.0000000000 -0.0089770006 0.0000000000 0.0000000000 0.0000000000
1.7140316717 -0.3135634867 0.0000000000 0.0000000000 0.0000000000 -0.0448447247 0.0000000000 0.0000000000 0.0000000000
0.7438335270 0.0341312768 0.0000000000 0.0000000000 0.0000000000 0.1612574940 0.0000000000 0.0000000000 0.0000000000
0.3280082762 0.6173246158 1.0000000000 0.0000000000 0.0000000000 0.4083320223 1.0000000000 0.0000000000 0.0000000000
0.1366188473 0.4868790477 0.0000000000 1.0000000000 0.0000000000 0.4366765007 0.0000000000 1.0000000000 0.0000000000
0.0534696687 0.0500106401 0.0000000000 0.0000000000 1.0000000000 0.1655268470 0.0000000000 0.0000000000 1.0000000000
3 2 2 3 3
1.0360000000 1.0000000000 0.0000000000 0.0000000000
0.4130000000 0.0000000000 1.0000000000 0.0000000000
0.1650000000 0.0000000000 0.0000000000 1.0000000000
3 0 0 1 1
0.03540000 1.0000000000
3 1 1 1 1
0.02720000 1.0000000000
#
S SZV-GTH
1
3 0 1 4 1 1
1.8379629578 0.3832142891 0.1221358296
1.0357730084 -0.1682257315 -0.2752002461
0.3297969875 -0.8258488166 -0.5729054592
0.1073535471 -0.2832758052 -0.3825468137
#
S DZVP-GTH
2
3 0 1 4 2 2
1.8379629578 0.3832142891 0.0000000000 0.1221358296 0.0000000000
1.0357730084 -0.1682257315 0.0000000000 -0.2752002461 0.0000000000
0.3297969875 -0.8258488166 0.0000000000 -0.5729054592 0.0000000000
0.1073535471 -0.2832758052 1.0000000000 -0.3825468137 1.0000000000
3 2 2 1 1
0.4790000000 1.0000000000
#
S TZVP-GTH
2
3 0 1 5 3 3
2.9775941238 -0.0684133054 0.0000000000 0.0000000000 0.0522484808 0.0000000000 0.0000000000
2.0190866819 0.4095039721 0.0000000000 0.0000000000 -0.0232128642 0.0000000000 0.0000000000
0.6439412840 -0.3403336830 0.0000000000 0.0000000000 -0.3459753011 0.0000000000 0.0000000000
0.2501987605 -0.7425154227 1.0000000000 0.0000000000 -0.5141620418 1.0000000000 0.0000000000
0.0891650206 -0.1520225390 0.0000000000 1.0000000000 -0.2803769713 0.0000000000 1.0000000000
3 2 2 1 1
0.4790000000 1.0000000000
#
S TZV2P-GTH
2
3 0 1 5 3 3
2.9775941238 -0.0684133054 0.0000000000 0.0000000000 0.0522484808 0.0000000000 0.0000000000
2.0190866819 0.4095039721 0.0000000000 0.0000000000 -0.0232128642 0.0000000000 0.0000000000
0.6439412840 -0.3403336830 0.0000000000 0.0000000000 -0.3459753011 0.0000000000 0.0000000000
0.2501987605 -0.7425154227 1.0000000000 0.0000000000 -0.5141620418 1.0000000000 0.0000000000
0.0891650206 -0.1520225390 0.0000000000 1.0000000000 -0.2803769713 0.0000000000 1.0000000000
3 2 2 2 2
0.8190000000 1.0000000000 0.0000000000
0.2690000000 0.0000000000 1.0000000000
#
S QZV2P-GTH
2
3 0 1 6 4 4
4.2573596528 0.0340198790 0.0000000000 0.0000000000 0.0000000000 -0.0139384068 0.0000000000 0.0000000000 0.0000000000
2.1309107097 -0.3349229077 0.0000000000 0.0000000000 0.0000000000 -0.0449848970 0.0000000000 0.0000000000 0.0000000000
0.9293415064 0.0316794871 0.0000000000 0.0000000000 0.0000000000 0.1762303153 0.0000000000 0.0000000000 0.0000000000
0.4136351121 0.6234596988 1.0000000000 0.0000000000 0.0000000000 0.4188613693 1.0000000000 0.0000000000 0.0000000000
0.1723749938 0.4869763921 0.0000000000 1.0000000000 0.0000000000 0.4242144008 0.0000000000 1.0000000000 0.0000000000
0.0673747361 0.0524674807 0.0000000000 0.0000000000 1.0000000000 0.1544985250 0.0000000000 0.0000000000 1.0000000000
3 2 2 2 2
0.8190000000 1.0000000000 0.0000000000
0.2690000000 0.0000000000 1.0000000000
#
S QZV3P-GTH
2
3 0 1 6 4 4
4.2573596528 0.0340198790 0.0000000000 0.0000000000 0.0000000000 -0.0139384068 0.0000000000 0.0000000000 0.0000000000
2.1309107097 -0.3349229077 0.0000000000 0.0000000000 0.0000000000 -0.0449848970 0.0000000000 0.0000000000 0.0000000000
0.9293415064 0.0316794871 0.0000000000 0.0000000000 0.0000000000 0.1762303153 0.0000000000 0.0000000000 0.0000000000
0.4136351121 0.6234596988 1.0000000000 0.0000000000 0.0000000000 0.4188613693 1.0000000000 0.0000000000 0.0000000000
0.1723749938 0.4869763921 0.0000000000 1.0000000000 0.0000000000 0.4242144008 0.0000000000 1.0000000000 0.0000000000
0.0673747361 0.0524674807 0.0000000000 0.0000000000 1.0000000000 0.1544985250 0.0000000000 0.0000000000 1.0000000000
3 2 2 3 3
1.2500000000 1.0000000000 0.0000000000 0.0000000000
0.5040000000 0.0000000000 1.0000000000 0.0000000000
0.2030000000 0.0000000000 0.0000000000 1.0000000000
#
S aug-DZVP-GTH
4
3 0 1 4 2 2
1.8379629578 0.3832142891 0.0000000000 0.1221358296 0.0000000000
1.0357730084 -0.1682257315 0.0000000000 -0.2752002461 0.0000000000
0.3297969875 -0.8258488166 0.0000000000 -0.5729054592 0.0000000000
0.1073535471 -0.2832758052 1.0000000000 -0.3825468137 1.0000000000
3 2 2 1 1
0.4790000000 1.0000000000
3 0 0 1 1
0.05070000 1.0000000000
3 1 1 1 1
0.03990000 1.0000000000
#
S aug-TZVP-GTH
4
3 0 1 5 3 3
2.9775941238 -0.0684133054 0.0000000000 0.0000000000 0.0522484808 0.0000000000 0.0000000000
2.0190866819 0.4095039721 0.0000000000 0.0000000000 -0.0232128642 0.0000000000 0.0000000000
0.6439412840 -0.3403336830 0.0000000000 0.0000000000 -0.3459753011 0.0000000000 0.0000000000
0.2501987605 -0.7425154227 1.0000000000 0.0000000000 -0.5141620418 1.0000000000 0.0000000000
0.0891650206 -0.1520225390 0.0000000000 1.0000000000 -0.2803769713 0.0000000000 1.0000000000
3 2 2 1 1
0.4790000000 1.0000000000
3 0 0 1 1
0.04970000 1.0000000000
3 1 1 1 1
0.03510000 1.0000000000
#
S aug-TZV2P-GTH
4
3 0 1 5 3 3
2.9775941238 -0.0684133054 0.0000000000 0.0000000000 0.0522484808 0.0000000000 0.0000000000
2.0190866819 0.4095039721 0.0000000000 0.0000000000 -0.0232128642 0.0000000000 0.0000000000
0.6439412840 -0.3403336830 0.0000000000 0.0000000000 -0.3459753011 0.0000000000 0.0000000000
0.2501987605 -0.7425154227 1.0000000000 0.0000000000 -0.5141620418 1.0000000000 0.0000000000
0.0891650206 -0.1520225390 0.0000000000 1.0000000000 -0.2803769713 0.0000000000 1.0000000000
3 2 2 2 2
0.8190000000 1.0000000000 0.0000000000
0.2690000000 0.0000000000 1.0000000000
3 0 0 1 1
0.04970000 1.0000000000
3 1 1 1 1
0.03510000 1.0000000000
#
S aug-QZV2P-GTH
4
3 0 1 6 4 4
4.2573596528 0.0340198790 0.0000000000 0.0000000000 0.0000000000 -0.0139384068 0.0000000000 0.0000000000 0.0000000000
2.1309107097 -0.3349229077 0.0000000000 0.0000000000 0.0000000000 -0.0449848970 0.0000000000 0.0000000000 0.0000000000
0.9293415064 0.0316794871 0.0000000000 0.0000000000 0.0000000000 0.1762303153 0.0000000000 0.0000000000 0.0000000000
0.4136351121 0.6234596988 1.0000000000 0.0000000000 0.0000000000 0.4188613693 1.0000000000 0.0000000000 0.0000000000
0.1723749938 0.4869763921 0.0000000000 1.0000000000 0.0000000000 0.4242144008 0.0000000000 1.0000000000 0.0000000000
0.0673747361 0.0524674807 0.0000000000 0.0000000000 1.0000000000 0.1544985250 0.0000000000 0.0000000000 1.0000000000
3 2 2 2 2
0.8190000000 1.0000000000 0.0000000000
0.2690000000 0.0000000000 1.0000000000
3 0 0 1 1
0.04280000 1.0000000000
3 1 1 1 1
0.03170000 1.0000000000
#
S aug-QZV3P-GTH
4
3 0 1 6 4 4
4.2573596528 0.0340198790 0.0000000000 0.0000000000 0.0000000000 -0.0139384068 0.0000000000 0.0000000000 0.0000000000
2.1309107097 -0.3349229077 0.0000000000 0.0000000000 0.0000000000 -0.0449848970 0.0000000000 0.0000000000 0.0000000000
0.9293415064 0.0316794871 0.0000000000 0.0000000000 0.0000000000 0.1762303153 0.0000000000 0.0000000000 0.0000000000
0.4136351121 0.6234596988 1.0000000000 0.0000000000 0.0000000000 0.4188613693 1.0000000000 0.0000000000 0.0000000000
0.1723749938 0.4869763921 0.0000000000 1.0000000000 0.0000000000 0.4242144008 0.0000000000 1.0000000000 0.0000000000
0.0673747361 0.0524674807 0.0000000000 0.0000000000 1.0000000000 0.1544985250 0.0000000000 0.0000000000 1.0000000000
3 2 2 3 3
1.2500000000 1.0000000000 0.0000000000 0.0000000000
0.5040000000 0.0000000000 1.0000000000 0.0000000000
0.2030000000 0.0000000000 0.0000000000 1.0000000000
3 0 0 1 1
0.04280000 1.0000000000
3 1 1 1 1
0.03170000 1.0000000000
#
Cl SZV-GTH
1
3 0 1 4 1 1
2.2321759828 0.3787844947 0.1555385229
1.3787736290 -0.1239714599 -0.2931741896
0.4264904045 -0.8298226129 -0.5781097351
0.1366670312 -0.3175023225 -0.3901110870
#
Cl DZVP-GTH
2
3 0 1 4 2 2
2.2321759828 0.3787844947 0.0000000000 0.1555385229 0.0000000000
1.3787736290 -0.1239714599 0.0000000000 -0.2931741896 0.0000000000
0.4264904045 -0.8298226129 0.0000000000 -0.5781097351 0.0000000000
0.1366670312 -0.3175023225 1.0000000000 -0.3901110870 1.0000000000
3 2 2 1 1
0.6000000000 1.0000000000
#
Cl TZVP-GTH
2
3 0 1 5 3 3
3.4404677360 -0.0962885076 0.0000000000 0.0000000000 0.0674841325 0.0000000000 0.0000000000
2.4424740830 0.4481503162 0.0000000000 0.0000000000 -0.0388856129 0.0000000000 0.0000000000
0.7848604567 -0.3507929510 0.0000000000 0.0000000000 -0.3633699842 0.0000000000 0.0000000000
0.3048755969 -0.7403677289 1.0000000000 0.0000000000 -0.5101595423 1.0000000000 0.0000000000
0.1084717366 -0.1528159301 0.0000000000 1.0000000000 -0.2654035575 0.0000000000 1.0000000000
3 2 2 1 1
0.6000000000 1.0000000000
#
Cl TZV2P-GTH
2
3 0 1 5 3 3
3.4404677360 -0.0962885076 0.0000000000 0.0000000000 0.0674841325 0.0000000000 0.0000000000
2.4424740830 0.4481503162 0.0000000000 0.0000000000 -0.0388856129 0.0000000000 0.0000000000
0.7848604567 -0.3507929510 0.0000000000 0.0000000000 -0.3633699842 0.0000000000 0.0000000000
0.3048755969 -0.7403677289 1.0000000000 0.0000000000 -0.5101595423 1.0000000000 0.0000000000
0.1084717366 -0.1528159301 0.0000000000 1.0000000000 -0.2654035575 0.0000000000 1.0000000000
3 2 2 2 2
1.0460000000 1.0000000000 0.0000000000
0.3440000000 0.0000000000 1.0000000000
#
Cl QZV2P-GTH
2
3 0 1 6 4 4
4.7390692540 0.0460145547 0.0000000000 0.0000000000 0.0000000000 -0.0184287984 0.0000000000 0.0000000000 0.0000000000
2.5664506160 -0.3573237652 0.0000000000 0.0000000000 0.0000000000 -0.0428888823 0.0000000000 0.0000000000 0.0000000000
1.1168239570 0.0404814650 0.0000000000 0.0000000000 0.0000000000 0.1933392026 0.0000000000 0.0000000000 0.0000000000
0.5007318360 0.6290842339 1.0000000000 0.0000000000 0.0000000000 0.4262968544 1.0000000000 0.0000000000 0.0000000000
0.2092217935 0.4804996350 0.0000000000 1.0000000000 0.0000000000 0.4107393400 0.0000000000 1.0000000000 0.0000000000
0.0818080455 0.0532567628 0.0000000000 0.0000000000 1.0000000000 0.1444014999 0.0000000000 0.0000000000 1.0000000000
3 2 2 2 2
1.0460000000 1.0000000000 0.0000000000
0.3440000000 0.0000000000 1.0000000000
#
Cl QZV3P-GTH
2
3 0 1 6 4 4
4.7390692540 0.0460145547 0.0000000000 0.0000000000 0.0000000000 -0.0184287984 0.0000000000 0.0000000000 0.0000000000
2.5664506160 -0.3573237652 0.0000000000 0.0000000000 0.0000000000 -0.0428888823 0.0000000000 0.0000000000 0.0000000000
1.1168239570 0.0404814650 0.0000000000 0.0000000000 0.0000000000 0.1933392026 0.0000000000 0.0000000000 0.0000000000
0.5007318360 0.6290842339 1.0000000000 0.0000000000 0.0000000000 0.4262968544 1.0000000000 0.0000000000 0.0000000000
0.2092217935 0.4804996350 0.0000000000 1.0000000000 0.0000000000 0.4107393400 0.0000000000 1.0000000000 0.0000000000
0.0818080455 0.0532567628 0.0000000000 0.0000000000 1.0000000000 0.1444014999 0.0000000000 0.0000000000 1.0000000000
3 2 2 3 3
1.5510000000 1.0000000000 0.0000000000 0.0000000000
0.6280000000 0.0000000000 1.0000000000 0.0000000000
0.2540000000 0.0000000000 0.0000000000 1.0000000000
#
Cl aug-DZVP-GTH
4
3 0 1 4 2 2
2.2321759828 0.3787844947 0.0000000000 0.1555385229 0.0000000000
1.3787736290 -0.1239714599 0.0000000000 -0.2931741896 0.0000000000
0.4264904045 -0.8298226129 0.0000000000 -0.5781097351 0.0000000000
0.1366670312 -0.3175023225 1.0000000000 -0.3901110870 1.0000000000
3 2 2 1 1
0.6000000000 1.0000000000
3 0 0 1 1
0.06080000 1.0000000000
3 1 1 1 1
0.04660000 1.0000000000
#
Cl aug-TZVP-GTH
4
3 0 1 5 3 3
3.4404677360 -0.0962885076 0.0000000000 0.0000000000 0.0674841325 0.0000000000 0.0000000000
2.4424740830 0.4481503162 0.0000000000 0.0000000000 -0.0388856129 0.0000000000 0.0000000000
0.7848604567 -0.3507929510 0.0000000000 0.0000000000 -0.3633699842 0.0000000000 0.0000000000
0.3048755969 -0.7403677289 1.0000000000 0.0000000000 -0.5101595423 1.0000000000 0.0000000000
0.1084717366 -0.1528159301 0.0000000000 1.0000000000 -0.2654035575 0.0000000000 1.0000000000
3 2 2 1 1
0.6000000000 1.0000000000
3 0 0 1 1
0.05910000 1.0000000000
3 1 1 1 1
0.04190000 1.0000000000
#
Cl aug-TZV2P-GTH
4
3 0 1 5 3 3
3.4404677360 -0.0962885076 0.0000000000 0.0000000000 0.0674841325 0.0000000000 0.0000000000
2.4424740830 0.4481503162 0.0000000000 0.0000000000 -0.0388856129 0.0000000000 0.0000000000
0.7848604567 -0.3507929510 0.0000000000 0.0000000000 -0.3633699842 0.0000000000 0.0000000000
0.3048755969 -0.7403677289 1.0000000000 0.0000000000 -0.5101595423 1.0000000000 0.0000000000
0.1084717366 -0.1528159301 0.0000000000 1.0000000000 -0.2654035575 0.0000000000 1.0000000000
3 2 2 2 2
1.0460000000 1.0000000000 0.0000000000
0.3440000000 0.0000000000 1.0000000000
3 0 0 1 1
0.05910000 1.0000000000
3 1 1 1 1
0.04190000 1.0000000000
#
Cl aug-QZV2P-GTH
4
3 0 1 6 4 4
4.7390692540 0.0460145547 0.0000000000 0.0000000000 0.0000000000 -0.0184287984 0.0000000000 0.0000000000 0.0000000000
2.5664506160 -0.3573237652 0.0000000000 0.0000000000 0.0000000000 -0.0428888823 0.0000000000 0.0000000000 0.0000000000
1.1168239570 0.0404814650 0.0000000000 0.0000000000 0.0000000000 0.1933392026 0.0000000000 0.0000000000 0.0000000000
0.5007318360 0.6290842339 1.0000000000 0.0000000000 0.0000000000 0.4262968544 1.0000000000 0.0000000000 0.0000000000
0.2092217935 0.4804996350 0.0000000000 1.0000000000 0.0000000000 0.4107393400 0.0000000000 1.0000000000 0.0000000000
0.0818080455 0.0532567628 0.0000000000 0.0000000000 1.0000000000 0.1444014999 0.0000000000 0.0000000000 1.0000000000
3 2 2 2 2
1.0460000000 1.0000000000 0.0000000000
0.3440000000 0.0000000000 1.0000000000
3 0 0 1 1
0.05190000 1.0000000000
3 1 1 1 1
0.03760000 1.0000000000
#
Cl aug-QZV3P-GTH
4
3 0 1 6 4 4
4.7390692540 0.0460145547 0.0000000000 0.0000000000 0.0000000000 -0.0184287984 0.0000000000 0.0000000000 0.0000000000
2.5664506160 -0.3573237652 0.0000000000 0.0000000000 0.0000000000 -0.0428888823 0.0000000000 0.0000000000 0.0000000000
1.1168239570 0.0404814650 0.0000000000 0.0000000000 0.0000000000 0.1933392026 0.0000000000 0.0000000000 0.0000000000
0.5007318360 0.6290842339 1.0000000000 0.0000000000 0.0000000000 0.4262968544 1.0000000000 0.0000000000 0.0000000000
0.2092217935 0.4804996350 0.0000000000 1.0000000000 0.0000000000 0.4107393400 0.0000000000 1.0000000000 0.0000000000
0.0818080455 0.0532567628 0.0000000000 0.0000000000 1.0000000000 0.1444014999 0.0000000000 0.0000000000 1.0000000000
3 2 2 3 3
1.5510000000 1.0000000000 0.0000000000 0.0000000000
0.6280000000 0.0000000000 1.0000000000 0.0000000000
0.2540000000 0.0000000000 0.0000000000 1.0000000000
3 0 0 1 1
0.05190000 1.0000000000
3 1 1 1 1
0.03760000 1.0000000000
#
Ar SZV-GTH
1
3 0 1 4 1 1
2.6436341408 0.3737594656 0.1735190188
1.6948954231 -0.0996534757 -0.3100915552
0.5231109619 -0.8315200024 -0.5807564917
0.1663306660 -0.3339930084 -0.3879330451
#
Ar DZVP-GTH
2
3 0 1 4 2 2
2.6436341408 0.3737594656 0.0000000000 0.1735190188 0.0000000000
1.6948954231 -0.0996534757 0.0000000000 -0.3100915552 0.0000000000
0.5231109619 -0.8315200024 0.0000000000 -0.5807564917 0.0000000000
0.1663306660 -0.3339930084 1.0000000000 -0.3879330451 1.0000000000
3 2 2 1 1
0.7380000000 1.0000000000
#
Ar TZVP-GTH
2
3 0 1 5 3 3
3.7933849461 -0.1618280953 0.0000000000 0.0000000000 0.0960404756 0.0000000000 0.0000000000
2.9269187333 0.5221781637 0.0000000000 0.0000000000 -0.0704844503 0.0000000000 0.0000000000
0.9316537640 -0.3632163241 0.0000000000 0.0000000000 -0.3787707182 0.0000000000 0.0000000000
0.3621005146 -0.7358329756 1.0000000000 0.0000000000 -0.5047539917 1.0000000000 0.0000000000
0.1287409102 -0.1523090856 0.0000000000 1.0000000000 -0.2525011145 0.0000000000 1.0000000000
3 2 2 1 1
0.7380000000 1.0000000000
#
Ar TZV2P-GTH
2
3 0 1 5 3 3
3.7933849461 -0.1618280953 0.0000000000 0.0000000000 0.0960404756 0.0000000000 0.0000000000
2.9269187333 0.5221781637 0.0000000000 0.0000000000 -0.0704844503 0.0000000000 0.0000000000
0.9316537640 -0.3632163241 0.0000000000 0.0000000000 -0.3787707182 0.0000000000 0.0000000000
0.3621005146 -0.7358329756 1.0000000000 0.0000000000 -0.5047539917 1.0000000000 0.0000000000
0.1287409102 -0.1523090856 0.0000000000 1.0000000000 -0.2525011145 0.0000000000 1.0000000000
3 2 2 2 2
1.2540000000 1.0000000000 0.0000000000
0.4100000000 0.0000000000 1.0000000000
#
Ar QZV2P-GTH
2
3 0 1 6 4 4
5.2342384840 0.0594091942 0.0000000000 0.0000000000 0.0000000000 -0.0218235164 0.0000000000 0.0000000000 0.0000000000
3.0293732626 -0.3808584814 0.0000000000 0.0000000000 0.0000000000 -0.0397609427 0.0000000000 0.0000000000 0.0000000000
1.3121914980 0.0527214554 0.0000000000 0.0000000000 0.0000000000 0.2096390562 0.0000000000 0.0000000000 0.0000000000
0.5914580696 0.6333744672 1.0000000000 0.0000000000 0.0000000000 0.4311838680 1.0000000000 0.0000000000 0.0000000000
0.2478147218 0.4727819382 0.0000000000 1.0000000000 0.0000000000 0.3981434659 0.0000000000 1.0000000000 0.0000000000
0.0969644987 0.0535029998 0.0000000000 0.0000000000 1.0000000000 0.1359825259 0.0000000000 0.0000000000 1.0000000000
3 2 2 2 2
1.2540000000 1.0000000000 0.0000000000
0.4100000000 0.0000000000 1.0000000000
#
Ar QZV3P-GTH
2
3 0 1 6 4 4
5.2342384840 0.0594091942 0.0000000000 0.0000000000 0.0000000000 -0.0218235164 0.0000000000 0.0000000000 0.0000000000
3.0293732626 -0.3808584814 0.0000000000 0.0000000000 0.0000000000 -0.0397609427 0.0000000000 0.0000000000 0.0000000000
1.3121914980 0.0527214554 0.0000000000 0.0000000000 0.0000000000 0.2096390562 0.0000000000 0.0000000000 0.0000000000
0.5914580696 0.6333744672 1.0000000000 0.0000000000 0.0000000000 0.4311838680 1.0000000000 0.0000000000 0.0000000000
0.2478147218 0.4727819382 0.0000000000 1.0000000000 0.0000000000 0.3981434659 0.0000000000 1.0000000000 0.0000000000
0.0969644987 0.0535029998 0.0000000000 0.0000000000 1.0000000000 0.1359825259 0.0000000000 0.0000000000 1.0000000000
3 2 2 3 3
1.8730000000 1.0000000000 0.0000000000 0.0000000000
0.7630000000 0.0000000000 1.0000000000 0.0000000000
0.3110000000 0.0000000000 0.0000000000 1.0000000000
#
W DZVP-GTH
3
5 0 0 4 3
3.17833961 -0.59405642 0.16293727 0.00000000
1.54892965 0.66388244 -0.20717075 0.00000000
0.65507630 0.77725275 -0.51725023 0.00000000
0.08615458 0.02093277 1.15557619 1.00000000
5 1 1 4 2
2.98630221 0.05620580 0.00000000
1.21317676 -0.52492834 0.00000000
0.58573989 -0.46305304 0.00000000
0.26423237 -0.11761739 1.00000000
5 2 2 4 2
3.98958029 0.05242902 0.00000000
1.11283726 -0.37652293 0.00000000
0.39364968 -0.52218358 0.00000000
0.12396511 -0.33923705 1.00000000
|