/usr/share/psi/basis/aug-cc-pwcv5z-dk.gbs is in psi4-data 1:0.3-5.
This file is owned by root:root, with mode 0o644.
The actual contents of the file can be viewed below.
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4422 4423 4424 4425 4426 4427 4428 4429 4430 4431 4432 4433 4434 4435 4436 4437 4438 4439 4440 4441 4442 4443 4444 4445 4446 4447 4448 4449 4450 4451 4452 4453 4454 4455 4456 4457 4458 4459 4460 4461 4462 4463 4464 4465 4466 4467 4468 4469 4470 4471 4472 4473 4474 4475 4476 4477 4478 4479 4480 4481 4482 4483 4484 4485 4486 4487 4488 4489 4490 4491 4492 4493 4494 4495 4496 4497 4498 4499 4500 4501 4502 4503 4504 4505 4506 4507 4508 4509 4510 4511 4512 4513 4514 4515 4516 4517 4518 4519 4520 4521 4522 4523 4524 4525 4526 4527 4528 4529 4530 4531 4532 4533 4534 4535 4536 4537 4538 4539 4540 4541 4542 4543 4544 4545 4546 4547 4548 4549 4550 4551 4552 4553 4554 4555 4556 4557 4558 4559 4560 4561 4562 4563 4564 4565 4566 4567 4568 4569 4570 4571 4572 4573 4574 4575 4576 4577 4578 4579 4580 4581 4582 4583 4584 4585 4586 4587 4588 4589 4590 4591 4592 4593 4594 4595 4596 4597 4598 4599 4600 4601 4602 4603 4604 4605 4606 4607 4608 4609 4610 4611 4612 4613 4614 4615 4616 4617 4618 4619 4620 4621 4622 4623 4624 4625 4626 4627 4628 4629 4630 4631 4632 4633 4634 4635 4636 4637 4638 4639 4640 4641 4642 4643 4644 4645 4646 4647 4648 4649 4650 4651 4652 4653 4654 4655 4656 4657 4658 4659 4660 4661 4662 4663 4664 4665 4666 4667 4668 4669 4670 4671 4672 4673 4674 4675 4676 4677 4678 4679 4680 4681 4682 4683 4684 4685 4686 4687 4688 4689 4690 4691 4692 4693 4694 4695 4696 4697 4698 4699 4700 4701 4702 4703 4704 4705 4706 4707 4708 4709 4710 4711 4712 4713 4714 4715 4716 4717 4718 4719 4720 4721 4722 4723 4724 4725 4726 4727 4728 4729 4730 4731 4732 4733 4734 4735 4736 4737 4738 4739 4740 4741 4742 4743 4744 4745 4746 4747 4748 4749 4750 4751 4752 4753 4754 4755 4756 4757 4758 4759 4760 4761 4762 4763 4764 4765 4766 4767 4768 4769 4770 4771 4772 4773 4774 4775 4776 4777 4778 4779 4780 4781 4782 4783 4784 4785 4786 4787 4788 4789 4790 4791 4792 4793 4794 4795 4796 4797 4798 4799 4800 4801 4802 4803 4804 4805 4806 4807 4808 4809 4810 4811 4812 4813 4814 4815 4816 4817 4818 4819 4820 4821 4822 4823 4824 4825 4826 4827 4828 4829 4830 4831 4832 4833 4834 4835 4836 4837 4838 4839 4840 4841 4842 4843 4844 4845 4846 4847 4848 4849 4850 4851 4852 4853 4854 4855 4856 4857 4858 4859 4860 4861 4862 4863 4864 4865 4866 4867 4868 4869 4870 4871 4872 4873 4874 4875 4876 4877 4878 4879 4880 4881 4882 4883 4884 4885 4886 | spherical
!
! cc-pwCV5Z-DK EMSL Basis Set Exchange Library 5/15/11 11:38 PM
! Elements References
! -------- ----------
! Sc - Zn
! N.B. Balabanov and K.A. Peterson, J. Chem. Phys., 123 064107 (2005).
!
!
! aug-cc-pV5Z-DK Diffuse EMSL Basis Set Exchange Library 5/15/11 4:36 PM
! Elements References
! -------- ----------
! H : T.H. Dunning, Jr. J. Chem. Phys. 90, 1007 (1989).
! Diffuse s exponent - S. Mielke
! He : D.E. Woon and T.H. Dunning, Jr., J. Chem. Phys. 100, 2975 (1994).
! B - F: R.A. Kendall, T.H. Dunning, Jr. and R.J. Harrison, J. Chem. Phys. 96,
! 6796 (1992).
! Al - Cl: D.E. Woon and T.H. Dunning, Jr. J. Chem. Phys. 98, 1358 (1993).
! Sc - Zn: N.B. Balabanov and K.A. Peterson, J. Chem. Phys, 123, 064107 (2005)
!
!
! merged from cc-pwcv5z-dk.gbs and diffuse-aug-cc-pv5z-dk.gbs at Wed, 04:22 May 18, 2011
!
****
Sc 0
S 27 1.00
1.19495E+08 5.919535E-06
2.14992E+07 1.431359E-05
4.80703E+06 4.104556E-05
1.28440E+06 9.797419E-05
396595.0000000 0.0002223775
137575.0000000 0.0004796213
52366.8000000 0.001020521
21454.9000000 0.002175114
9316.0600000 0.004713698
4235.4000000 0.01036927
1997.4400000 0.02281143
970.4300000 0.04868009
483.2710000 0.09694442
245.8060000 0.1706005
127.3600000 0.2430080
67.0788000 0.2384914
35.8371000 0.1288846
19.3713000 0.05207441
10.5571000 0.08763543
5.7724900 0.1099903
3.1454000 0.05080978
1.6924900 0.006520852
0.8886490 0.0003956125
0.4710930 -6.181459E-05
0.2492860 1.254106E-05
0.0999880 -4.361028E-06
0.0463690 1.0567E-05
S 27 1.00
1.19495E+08 -3.393072E-06
2.14992E+07 -8.205121E-06
4.80703E+06 -2.353144E-05
1.28440E+06 -5.618118E-05
396595.0000000 -0.0001275595
137575.0000000 -0.0002752891
52366.8000000 -0.0005862466
21454.9000000 -0.001251553
9316.0600000 -0.002718589
4235.4000000 -0.006008769
1997.4400000 -0.01332407
970.4300000 -0.02890036
483.2710000 -0.05930942
245.8060000 -0.1107930
127.3600000 -0.1770984
67.0788000 -0.2162084
35.8371000 -0.1469435
19.3713000 0.0639645
10.5571000 0.3580420
5.7724900 0.4634064
3.1454000 0.2146780
1.6924900 0.02748374
0.8886490 0.0005229658
0.4710930 -0.0009373147
0.2492860 -0.0001398211
0.0999880 -1.123025E-05
0.0463690 3.671184E-05
S 27 1.00
1.19495E+08 6.682412E-07
2.14992E+07 1.616043E-06
4.80703E+06 4.635062E-06
1.28440E+06 1.106844E-05
396595.0000000 2.513795E-05
137575.0000000 5.42814E-05
52366.8000000 0.0001156787
21454.9000000 0.0002473236
9316.0600000 0.0005382997
4235.4000000 0.001194793
1997.4400000 0.002667407
970.4300000 0.005866852
483.2710000 0.01233989
245.8060000 0.02414443
127.3600000 0.04178974
67.0788000 0.05780505
35.8371000 0.04408753
19.3713000 -0.03163457
10.5571000 -0.1852648
5.7724900 -0.3507145
3.1454000 -0.2250703
1.6924900 0.2361473
0.8886490 0.5771120
0.4710930 0.3995942
0.2492860 0.08198503
0.0999880 0.003786216
0.0463690 0.00181512
S 27 1.00
1.19495E+08 -1.614274E-07
2.14992E+07 -3.903897E-07
4.80703E+06 -1.119695E-06
1.28440E+06 -2.673836E-06
396595.0000000 -6.072575E-06
137575.0000000 -1.311331E-05
52366.8000000 -2.794401E-05
21454.9000000 -5.975343E-05
9316.0600000 -0.0001300308
4235.4000000 -0.0002887116
1997.4400000 -0.0006443642
970.4300000 -0.001418217
483.2710000 -0.002982216
245.8060000 -0.005843726
127.3600000 -0.01011922
67.0788000 -0.01406049
35.8371000 -0.01073321
19.3713000 0.007697945
10.5571000 0.04671812
5.7724900 0.09236543
3.1454000 0.0606934
1.6924900 -0.07517223
0.8886490 -0.1934620
0.4710930 -0.2389696
0.2492860 -0.1062082
0.0999880 0.3515695
0.0463690 0.6241271
S 27 1.00
1.19495E+08 2.812987E-07
2.14992E+07 6.804514E-07
4.80703E+06 1.950692E-06
1.28440E+06 4.662709E-06
396595.0000000 1.056941E-05
137575.0000000 2.290727E-05
52366.8000000 4.849852E-05
21454.9000000 0.0001048147
9316.0600000 0.000224504
4235.4000000 0.0005093451
1997.4400000 0.001106294
970.4300000 0.002516249
483.2710000 0.005091015
245.8060000 0.01045914
127.3600000 0.0170637
67.0788000 0.02597877
35.8371000 0.01587703
19.3713000 -0.007290353
10.5571000 -0.09570927
5.7724900 -0.1484969
3.1454000 -0.1520052
1.6924900 0.2384846
0.8886490 0.3501435
0.4710930 0.7548168
0.2492860 -0.8094605
0.0999880 -1.4805040
0.0463690 0.7689142
S 27 1.00
1.19495E+08 -4.312322E-07
2.14992E+07 -1.043095E-06
4.80703E+06 -2.990538E-06
1.28440E+06 -7.147204E-06
396595.0000000 -1.620618E-05
137575.0000000 -3.510428E-05
52366.8000000 -7.439904E-05
21454.9000000 -0.0001605264
9316.0600000 -0.00034471
4235.4000000 -0.0007794742
1997.4400000 -0.001700679
970.4300000 -0.003848994
483.2710000 -0.007841304
245.8060000 -0.01600342
127.3600000 -0.02642693
67.0788000 -0.0397741
35.8371000 -0.02549301
19.3713000 0.0129649
10.5571000 0.1497257
5.7724900 0.2670537
3.1454000 0.2379641
1.6924900 -0.5490284
0.8886490 -1.0568440
0.4710930 -0.1164882
0.2492860 2.7444610
0.0999880 -1.4562880
0.0463690 -1.5228980
S 27 1.00
1.19495E+08 -4.876401E-07
2.14992E+07 -1.177921E-06
4.80703E+06 -3.38614E-06
1.28440E+06 -8.050139E-06
396595.0000000 -1.844652E-05
137575.0000000 -3.916005E-05
52366.8000000 -8.601642E-05
21454.9000000 -0.0001749806
9316.0600000 -0.0004098121
4235.4000000 -0.000822644
1997.4400000 -0.002082943
970.4300000 -0.003935527
483.2710000 -0.009907611
245.8060000 -0.01561908
127.3600000 -0.03578066
67.0788000 -0.0322496
35.8371000 -0.05745036
19.3713000 0.06918013
10.5571000 0.06434433
5.7724900 0.5933674
3.1454000 -0.1545044
1.6924900 -0.3050918
0.8886490 -2.9817180
0.4710930 4.9770390
0.2492860 -1.0825320
0.0999880 -4.2115770
0.0463690 5.6433950
S 27 1.00
1.19495E+08 7.519349E-07
2.14992E+07 1.820755E-06
4.80703E+06 5.209344E-06
1.28440E+06 1.250064E-05
396595.0000000 2.812046E-05
137575.0000000 6.183087E-05
52366.8000000 0.0001276431
21454.9000000 0.0002872
9316.0600000 0.0005798599
4235.4000000 0.001423352
1997.4400000 0.002800518
970.4300000 0.007178441
483.2710000 0.01264813
245.8060000 0.03086293
127.3600000 0.04074745
67.0788000 0.08547422
35.8371000 0.01756683
19.3713000 0.03153591
10.5571000 -0.4357717
5.7724900 -0.5492452
3.1454000 -0.4585412
1.6924900 4.1915080
0.8886490 -2.5292380
0.4710930 -5.4200720
0.2492860 9.3856740
0.0999880 -8.5529250
0.0463690 6.2316380
S 1 1.00
0.0216060 1.0000000
S 1 1.00
4.3955000 1.0000000
S 1 1.00
1.1564000 1.0000000
P 19 1.00
55070.5000000 0.0000140
13741.7000000 0.0000480
4365.4000000 0.0002020
1642.2600000 0.0007550
694.0660000 0.0026780
317.7420000 0.0085560
153.8990000 0.0245140
77.7665000 0.0617000
40.6736000 0.1309760
21.9061000 0.2216990
12.0795000 0.2929820
6.7534900 0.2755820
3.7632100 0.1467940
2.0497300 0.0316730
1.0864500 0.0001230
0.5640870 -0.0016080
0.2810200 -0.0008200
0.1214320 -0.0000640
0.0533450 -0.0000110
P 19 1.00
55070.5000000 -0.0000050
13741.7000000 -0.0000160
4365.4000000 -0.0000660
1642.2600000 -0.0002480
694.0660000 -0.0008820
317.7420000 -0.0028300
153.8990000 -0.0081890
77.7665000 -0.0209720
40.6736000 -0.0457600
21.9061000 -0.0797890
12.0795000 -0.1104030
6.7534900 -0.1073290
3.7632100 0.0005330
2.0497300 0.2185950
1.0864500 0.3923630
0.5640870 0.3629300
0.2810200 0.1490230
0.1214320 0.0150900
0.0533450 0.0005720
P 19 1.00
55070.5000000 -0.0000010
13741.7000000 -0.0000040
4365.4000000 -0.0000160
1642.2600000 -0.0000600
694.0660000 -0.0002160
317.7420000 -0.0006880
153.8990000 -0.0020050
77.7665000 -0.0051070
40.6736000 -0.0112560
21.9061000 -0.0194870
12.0795000 -0.0275520
6.7534900 -0.0261990
3.7632100 0.0018280
2.0497300 0.0650400
1.0864500 0.1153720
0.5640870 0.1375210
0.2810200 -0.0077520
0.1214320 -0.3617510
0.0533450 -0.5419820
P 19 1.00
55070.5000000 0.0000010
13741.7000000 0.0000050
4365.4000000 0.0000200
1642.2600000 0.0000740
694.0660000 0.0002620
317.7420000 0.0008430
153.8990000 0.0024310
77.7665000 0.0062550
40.6736000 0.0136160
21.9061000 0.0239330
12.0795000 0.0330500
6.7534900 0.0328270
3.7632100 -0.0025620
2.0497300 -0.0748050
1.0864500 -0.1376450
0.5640870 -0.1704280
0.2810200 -0.0478640
0.1214320 0.5835210
0.0533450 0.5151680
P 19 1.00
55070.5000000 0.0000030
13741.7000000 0.0000090
4365.4000000 0.0000410
1642.2600000 0.0001420
694.0660000 0.0005460
317.7420000 0.0016140
153.8990000 0.0050860
77.7665000 0.0118990
40.6736000 0.0287890
21.9061000 0.0441380
12.0795000 0.0761020
6.7534900 0.0560570
3.7632100 0.0243250
2.0497300 -0.2171150
1.0864500 -0.3703350
0.5640870 -0.4435200
0.2810200 1.2379380
0.1214320 0.4129960
0.0533450 -0.9400080
P 19 1.00
55070.5000000 -0.0000030
13741.7000000 -0.0000120
4365.4000000 -0.0000410
1642.2600000 -0.0002080
694.0660000 -0.0005200
317.7420000 -0.0024110
153.8990000 -0.0047120
77.7665000 -0.0181750
40.6736000 -0.0243790
21.9061000 -0.0766640
12.0795000 -0.0436370
6.7534900 -0.1925250
3.7632100 0.1326390
2.0497300 0.1135500
1.0864500 1.3669040
0.5640870 -1.5617250
0.2810200 -0.8936100
0.1214320 2.2910790
0.0533450 -1.2338460
P 19 1.00
55070.5000000 -0.0000050
13741.7000000 -0.0000160
4365.4000000 -0.0000700
1642.2600000 -0.0002610
694.0660000 -0.0009290
317.7420000 -0.0029870
153.8990000 -0.0086890
77.7665000 -0.0225240
40.6736000 -0.0494670
21.9061000 -0.0860160
12.0795000 -0.1162080
6.7534900 -0.1761440
3.7632100 0.0102780
2.0497300 1.2619260
1.0864500 0.2599850
0.5640870 -3.7739520
0.2810200 4.5043640
0.1214320 -2.6297080
0.0533450 0.5247230
P 1 1.00
0.0231430 1.0000000
P 1 1.00
5.1300000 1.0000000
P 1 1.00
1.2315000 1.0000000
D 11 1.00
206.8490000 0.0002450
60.9977000 0.0021780
23.3085000 0.0108150
9.9288100 0.0355520
4.4867000 0.0918530
2.1263200 0.1773870
1.0200800 0.2535140
0.4853730 0.2911880
0.2271980 0.2739590
0.1042040 0.1939380
0.0468350 0.0750160
D 11 1.00
206.8490000 -0.0002520
60.9977000 -0.0022360
23.3085000 -0.0111280
9.9288100 -0.0368300
4.4867000 -0.0965200
2.1263200 -0.1818110
1.0200800 -0.2453530
0.4853730 -0.2113190
0.2271980 0.0933260
0.1042040 0.4634600
0.0468350 0.3871780
D 11 1.00
206.8490000 -0.0003270
60.9977000 -0.0028490
23.3085000 -0.0145650
9.9288100 -0.0472320
4.4867000 -0.1264930
2.1263200 -0.2349220
1.0200800 -0.2844630
0.4853730 0.0738220
0.2271980 0.7433150
0.1042040 0.1237380
0.0468350 -0.6748410
D 11 1.00
206.8490000 -0.0004720
60.9977000 -0.0038040
23.3085000 -0.0209510
9.9288100 -0.0644210
4.4867000 -0.1927550
2.1263200 -0.3074170
1.0200800 -0.2835280
0.4853730 1.0750720
0.2271980 0.0383790
0.1042040 -1.2564750
0.0468350 0.7662620
D 11 1.00
206.8490000 -0.0005390
60.9977000 -0.0068390
23.3085000 -0.0259800
9.9288100 -0.1209740
4.4867000 -0.2394840
2.1263200 -0.6282700
1.0200800 0.9521130
0.4853730 0.6713530
0.2271980 -2.1441440
0.1042040 1.9275440
0.0468350 -0.6275630
D 1 1.00
0.0202590 1.0000000
D 1 1.00
2.6491000 1.0000000
D 1 1.00
1.4102000 1.0000000
F 1 1.00
3.5989000 1.0000000
F 1 1.00
1.5145000 1.0000000
F 1 1.00
0.6373000 1.0000000
F 1 1.00
0.2682000 1.0000000
F 1 1.00
0.0809000 1.0000000
G 1 1.00
3.1618000 1.0000000
G 1 1.00
1.3736000 1.0000000
G 1 1.00
0.5968000 1.0000000
G 1 1.00
0.1711000 1.0000000
H 1 1.00
2.9441000 1.0000000
H 1 1.00
1.1635000 1.0000000
H 1 1.00
0.3290000 1.0000000
I 1 1.00
3.1150000 1.0000000
I 1 1.00
1.1682000 1.0000000
S 1 1.00
0.0100700 1.0000000
P 1 1.00
0.0100400 1.0000000
D 1 1.00
0.0087600 1.0000000
F 1 1.00
0.0244000 1.0000000
G 1 1.00
0.0490500 1.0000000
H 1 1.00
0.0930300 1.0000000
I 1 1.00
0.4381000 1.0000000
****
Ti 0
S 27 1.00
1.22647E+08 6.653555E-06
2.19562E+07 1.613946E-05
4.90233E+06 4.614898E-05
1.31060E+06 0.0001098321
405228.0000000 0.0002484956
140757.0000000 0.0005342847
53625.1000000 0.001133562
21976.2000000 0.0024093
9539.6000000 0.005206248
4334.3700000 0.01141582
2042.8900000 0.02500563
992.3080000 0.05299834
494.4460000 0.1043003
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D 11 1.00
408.6230000 -0.0001810
120.7610000 -0.0016430
46.4460000 -0.0089270
20.2390000 -0.0323460
9.3638100 -0.0912500
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2.2314000 -0.2645410
1.0877600 -0.1867400
0.5173840 0.1269280
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D 11 1.00
408.6230000 -0.0002610
120.7610000 -0.0023550
46.4460000 -0.0129600
20.2390000 -0.0472650
9.3638100 -0.1386330
4.5309400 -0.2864130
2.2314000 -0.2875130
1.0877600 0.1816790
0.5173840 0.6898620
0.2371640 0.0343680
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D 11 1.00
408.6230000 -0.0003830
120.7610000 -0.0032790
46.4460000 -0.0190900
20.2390000 -0.0677960
9.3638100 -0.2245640
4.5309400 -0.4060110
2.2314000 -0.0277500
1.0877600 0.9973750
0.5173840 -0.1697640
0.2371640 -1.0397890
0.1033080 0.6710790
D 11 1.00
408.6230000 0.0004370
120.7610000 0.0045890
46.4460000 0.0227170
20.2390000 0.0996160
9.3638100 0.3058450
4.5309400 0.4774610
2.2314000 -0.9325180
1.0877600 -0.4753000
0.5173840 1.8742470
0.2371640 -1.5688730
0.1033080 0.2238730
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0.0414480 1.0000000
D 1 1.00
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G 1 1.00
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H 1 1.00
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H 1 1.00
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I 1 1.00
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I 1 1.00
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S 1 1.00
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P 1 1.00
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G 1 1.00
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H 1 1.00
0.3203100 1.0000000
I 1 1.00
0.8369200 1.0000000
****
Mn 0
S 27 1.00
1.37766E+08 9.175881E-06
2.45640E+07 2.220837E-05
5.47999E+06 6.312902E-05
1.46664E+06 0.000149043
454421.0000000 0.000334252
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147.4360000 0.2695263
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41.9679000 0.09819842
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12.5845000 0.0696258
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3.8062900 0.01745965
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1.0683800 -8.199702E-05
0.5366060 -8.846319E-05
0.1832600 -6.838112E-07
0.1052970 9.2988E-06
0.0514640 1.077915E-05
S 27 1.00
1.37766E+08 -4.381338E-06
2.45640E+07 -1.060525E-05
5.47999E+06 -3.015144E-05
1.46664E+06 -7.120841E-05
454421.0000000 -0.0001597824
158216.0000000 -0.000340203
60404.3000000 -0.0007142262
24793.6000000 -0.001500807
10772.3000000 -0.003208026
4895.5400000 -0.006976942
2306.5600000 -0.01525116
1119.5600000 -0.0325723
557.3810000 -0.06555716
283.7780000 -0.1186999
147.4360000 -0.1799524
78.0227000 -0.1951121
41.9679000 -0.08217273
22.8778000 0.1808616
12.5845000 0.4586460
6.9417000 0.3972272
3.8062900 0.1168848
2.0503100 0.007958495
1.0683800 -0.002092204
0.5366060 -0.001135142
0.1832600 -7.879372E-05
0.1052970 0.0001025231
0.0514640 5.410158E-05
S 27 1.00
1.37766E+08 1.068287E-06
2.45640E+07 2.586031E-06
5.47999E+06 7.352933E-06
1.46664E+06 1.736941E-05
454421.0000000 3.898542E-05
158216.0000000 8.306111E-05
60404.3000000 0.0001744949
24793.6000000 0.0003673057
10772.3000000 0.0007865417
4895.5400000 0.001718715
2306.5600000 0.00378089
1119.5600000 0.008193983
557.3810000 0.01688439
283.7780000 0.03203007
147.4360000 0.05227776
78.0227000 0.06329496
41.9679000 0.02730142
22.8778000 -0.08717741
12.5845000 -0.2875772
6.9417000 -0.3628884
3.8062900 -0.04215027
2.0503100 0.4388709
1.0683800 0.5771293
0.5366060 0.2387704
0.1832600 0.01570217
0.1052970 -0.004203808
0.0514640 0.003045068
S 27 1.00
1.37766E+08 -2.38094E-07
2.45640E+07 -5.763617E-07
5.47999E+06 -1.638783E-06
1.46664E+06 -3.871248E-06
454421.0000000 -8.688905E-06
158216.0000000 -1.851283E-05
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24793.6000000 -8.18682E-05
10772.3000000 -0.0001753253
4895.5400000 -0.000383106
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1119.5600000 -0.001827049
557.3810000 -0.003768381
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147.4360000 -0.01170913
78.0227000 -0.01421051
41.9679000 -0.006206358
22.8778000 0.02000513
12.5845000 0.06799373
6.9417000 0.09008027
3.8062900 0.006726841
2.0503100 -0.1266192
1.0683800 -0.2141210
0.5366060 -0.1856184
0.1832600 0.0909400
0.1052970 0.4118037
0.0514640 0.5094118
S 27 1.00
1.37766E+08 -4.84787E-07
2.45640E+07 -1.173096E-06
5.47999E+06 -3.337866E-06
1.46664E+06 -7.874209E-06
454421.0000000 -1.77214E-05
158216.0000000 -3.756312E-05
60404.3000000 -7.964774E-05
24793.6000000 -0.000165119
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4895.5400000 -0.0007660144
2306.5600000 -0.00175539
1119.5600000 -0.003620866
557.3810000 -0.007932822
283.7780000 -0.01397326
147.4360000 -0.02536594
78.0227000 -0.02583964
41.9679000 -0.01989071
22.8778000 0.05587662
12.5845000 0.1164236
6.9417000 0.2517457
3.8062900 -0.08002852
2.0503100 -0.2433200
1.0683800 -0.8158726
0.5366060 0.3234709
0.1832600 1.5214530
0.1052970 -0.1148130
0.0514640 -0.6387061
S 27 1.00
1.37766E+08 -7.512011E-07
2.45640E+07 -1.817618E-06
5.47999E+06 -5.172616E-06
1.46664E+06 -1.21987E-05
454421.0000000 -2.747141E-05
158216.0000000 -5.816137E-05
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24793.6000000 -0.0002553343
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4895.5400000 -0.001182468
2306.5600000 -0.002734688
1119.5600000 -0.005582357
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283.7780000 -0.0215283
147.4360000 -0.04003117
78.0227000 -0.03951846
41.9679000 -0.03357302
22.8778000 0.09316877
12.5845000 0.1936863
6.9417000 0.4576255
3.8062900 -0.2269693
2.0503100 -0.8205798
1.0683800 -1.1703670
0.5366060 2.4796750
0.1832600 0.5071965
0.1052970 -2.4559780
0.0514640 0.4637332
S 27 1.00
1.37766E+08 9.501859E-07
2.45640E+07 2.302638E-06
5.47999E+06 6.534031E-06
1.46664E+06 1.549527E-05
454421.0000000 3.451419E-05
158216.0000000 7.462236E-05
60404.3000000 0.0001527131
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10772.3000000 0.0006735275
4895.5400000 0.001608663
2306.5600000 0.003158595
1119.5600000 0.007873457
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41.9679000 -0.01214183
22.8778000 -0.005722879
12.5845000 -0.5354706
6.9417000 -0.2928017
3.8062900 0.09232953
2.0503100 2.8929030
1.0683800 -2.5729720
0.5366060 -1.3308900
0.1832600 5.1351630
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S 27 1.00
1.37766E+08 -1.128118E-06
2.45640E+07 -2.733535E-06
5.47999E+06 -7.758502E-06
1.46664E+06 -1.839184E-05
454421.0000000 -4.099951E-05
158216.0000000 -8.851677E-05
60404.3000000 -0.0001816369
24793.6000000 -0.0003975353
10772.3000000 -0.0008030675
4895.5400000 -0.001902448
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1119.5600000 -0.009307704
557.3810000 -0.0165406
283.7780000 -0.03821704
147.4360000 -0.04887395
78.0227000 -0.09128293
41.9679000 0.008491437
22.8778000 0.02611301
12.5845000 0.7079390
6.9417000 0.6498609
3.8062900 -1.5963690
2.0503100 -3.2731990
1.0683800 8.6437670
0.5366060 -7.1910560
0.1832600 2.6285060
0.1052970 1.9458760
0.0514640 -4.4344500
S 1 1.00
0.0246780 1.0000000
S 1 1.00
5.8340000 1.0000000
S 1 1.00
1.9879000 1.0000000
P 19 1.00
79296.8000000 0.0000200
19317.1000000 0.0000630
6114.1000000 0.0002480
2316.2600000 0.0008630
989.6900000 0.0029100
457.9420000 0.0090030
223.6420000 0.0254540
113.5940000 0.0639330
59.5621000 0.1361980
32.1072000 0.2315300
17.7103000 0.3023300
9.9062100 0.2689820
5.5224300 0.1295470
3.0083200 0.0233200
1.5987300 -0.0015660
0.8308680 -0.0023560
0.4135380 -0.0009350
0.1712140 -0.0000620
0.0721220 -0.0000060
P 19 1.00
79296.8000000 -0.0000070
19317.1000000 -0.0000220
6114.1000000 -0.0000860
2316.2600000 -0.0003000
989.6900000 -0.0010160
457.9420000 -0.0031590
223.6420000 -0.0090310
113.5940000 -0.0231260
59.5621000 -0.0507790
32.1072000 -0.0893990
17.7103000 -0.1228770
9.9062100 -0.1065140
5.5224300 0.0357560
3.0083200 0.2669420
1.5987300 0.4036250
0.8308680 0.3225890
0.4135380 0.1156130
0.1712140 0.0099950
0.0721220 0.0001640
P 19 1.00
79296.8000000 -0.0000020
19317.1000000 -0.0000050
6114.1000000 -0.0000200
2316.2600000 -0.0000690
989.6900000 -0.0002350
457.9420000 -0.0007240
223.6420000 -0.0020910
113.5940000 -0.0053130
59.5621000 -0.0118180
32.1072000 -0.0205920
17.7103000 -0.0290740
9.9062100 -0.0242130
5.5224300 0.0103870
3.0083200 0.0758020
1.5987300 0.1132510
0.8308680 0.1107600
0.4135380 -0.0458160
0.1712140 -0.3666060
0.0721220 -0.5209940
P 19 1.00
79296.8000000 0.0000020
19317.1000000 0.0000070
6114.1000000 0.0000270
2316.2600000 0.0000940
989.6900000 0.0003190
457.9420000 0.0009840
223.6420000 0.0028430
113.5940000 0.0072090
59.5621000 0.0160560
32.1072000 0.0279420
17.7103000 0.0396110
9.9062100 0.0329680
5.5224300 -0.0131210
3.0083200 -0.1026490
1.5987300 -0.1544890
0.8308680 -0.1600600
0.4135380 0.0784490
0.1712140 0.6163740
0.0721220 0.4207930
P 19 1.00
79296.8000000 0.0000050
19317.1000000 0.0000140
6114.1000000 0.0000580
2316.2600000 0.0001920
989.6900000 0.0006960
457.9420000 0.0020080
223.6420000 0.0062130
113.5940000 0.0146760
59.5621000 0.0353990
32.1072000 0.0558380
17.7103000 0.0928570
9.9062100 0.0627380
5.5224300 -0.0076120
3.0083200 -0.3326500
1.5987300 -0.4106540
0.8308680 -0.1060750
0.4135380 1.2223080
0.1712140 0.0490250
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P 19 1.00
79296.8000000 0.0000060
19317.1000000 0.0000200
6114.1000000 0.0000710
2316.2600000 0.0002850
989.6900000 0.0008150
457.9420000 0.0030400
223.6420000 0.0071830
113.5940000 0.0225240
59.5621000 0.0396270
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17.7103000 0.0881760
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5.5224300 -0.1735320
3.0083200 -0.6083310
1.5987300 -0.7382110
0.8308680 2.0243030
0.4135380 -0.3298290
0.1712140 -1.4935320
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P 19 1.00
79296.8000000 0.0000080
19317.1000000 0.0000250
6114.1000000 0.0001060
2316.2600000 0.0003420
989.6900000 0.0012720
457.9420000 0.0035810
223.6420000 0.0114470
113.5940000 0.0264520
59.5621000 0.0662750
32.1072000 0.1011730
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5.5224300 -0.4191550
3.0083200 -1.7434020
1.5987300 2.2743340
0.8308680 0.6841410
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0.1712140 2.5150700
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P 1 1.00
0.0301100 1.0000000
P 1 1.00
8.8318000 1.0000000
P 1 1.00
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D 11 1.00
449.7850000 0.0001690
132.7510000 0.0015380
50.9528000 0.0083670
22.1594000 0.0303140
10.2612000 0.0828020
4.9780300 0.1723770
2.4573000 0.2608660
1.2010100 0.3011350
0.5725160 0.2713710
0.2625960 0.1780740
0.1141400 0.0677740
D 11 1.00
449.7850000 -0.0001730
132.7510000 -0.0015710
50.9528000 -0.0085770
22.1594000 -0.0312520
10.2612000 -0.0873880
4.9780300 -0.1828420
2.4573000 -0.2505620
1.2010100 -0.1725500
0.5725160 0.1183370
0.2625960 0.4199520
0.1141400 0.4092760
D 11 1.00
449.7850000 -0.0002730
132.7510000 -0.0024890
50.9528000 -0.0137240
22.1594000 -0.0506030
10.2612000 -0.1473270
4.9780300 -0.2974210
2.4573000 -0.2738540
1.2010100 0.1901550
0.5725160 0.6286420
0.2625960 0.1058660
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D 11 1.00
449.7850000 -0.0003450
132.7510000 -0.0031230
50.9528000 -0.0174550
22.1594000 -0.0644950
10.2612000 -0.2022090
4.9780300 -0.4044630
2.4573000 -0.0249760
1.2010100 0.9272090
0.5725160 -0.0725570
0.2625960 -0.9877520
0.1141400 0.4393010
D 11 1.00
449.7850000 0.0004430
132.7510000 0.0041250
50.9528000 0.0227360
22.1594000 0.0894400
10.2612000 0.3004590
4.9780300 0.4539710
2.4573000 -0.8298630
1.2010100 -0.5280360
0.5725160 1.6092210
0.2625960 -0.9535770
0.1141400 -0.3842430
D 1 1.00
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D 1 1.00
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D 1 1.00
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F 1 1.00
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H 1 1.00
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I 1 1.00
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I 1 1.00
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S 1 1.00
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P 1 1.00
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G 1 1.00
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H 1 1.00
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I 1 1.00
1.0885500 1.0000000
****
Fe 0
S 27 1.00
1.497690E+08 9.531119E-06
2.672250E+07 2.300510E-05
5.959000E+06 6.533733E-05
1.593610E+06 1.539246E-04
4.934640E+05 3.441447E-04
1.717900E+05 7.285032E-04
6.562090E+04 1.517001E-03
2.696560E+04 3.152876E-03
1.173530E+04 6.646998E-03
5.343430E+03 1.421791E-02
2.522500E+03 3.045407E-02
1.226430E+03 6.326536E-02
6.112690E+02 1.217368E-01
3.113080E+02 2.031899E-01
1.616240E+02 2.639911E-01
8.537670E+01 2.217772E-01
4.579110E+01 9.737963E-02
2.486770E+01 4.984019E-02
1.362020E+01 8.424513E-02
7.481060E+00 6.965248E-02
4.088170E+00 1.953405E-02
2.199050E+00 1.411159E-03
1.148150E+00 -3.351105E-05
5.772650E-01 -6.461351E-05
1.976350E-01 -5.426027E-07
1.089860E-01 9.196538E-06
5.321600E-02 8.539820E-06
S 27 1.00
1.497690E+08 -4.913763E-06
2.672250E+07 -1.186149E-05
5.959000E+06 -3.369390E-05
1.593610E+06 -7.940325E-05
4.934640E+05 -1.776260E-04
1.717900E+05 -3.763323E-04
6.562090E+04 -7.847577E-04
2.696560E+04 -1.634599E-03
1.173530E+04 -3.458929E-03
5.343430E+03 -7.445276E-03
2.522500E+03 -1.613255E-02
1.226430E+03 -3.424328E-02
6.112690E+02 -6.867767E-02
3.113080E+02 -1.241129E-01
1.616240E+02 -1.879234E-01
8.537670E+01 -2.035676E-01
4.579110E+01 -8.676264E-02
2.486770E+01 1.846239E-01
1.362020E+01 4.648402E-01
7.481060E+00 3.903679E-01
4.088170E+00 1.090655E-01
2.199050E+00 7.382610E-03
1.148150E+00 -1.537976E-03
5.772650E-01 -7.905751E-04
1.976350E-01 -6.577098E-05
1.089860E-01 8.549943E-05
5.321600E-02 3.097134E-05
S 27 1.00
1.497690E+08 1.145921E-06
2.672250E+07 2.766402E-06
5.959000E+06 7.859110E-06
1.593610E+06 1.852562E-05
4.934640E+05 4.145544E-05
1.717900E+05 8.789446E-05
6.562090E+04 1.834278E-04
2.696560E+04 3.827944E-04
1.173530E+04 8.117003E-04
5.343430E+03 1.756160E-03
2.522500E+03 3.832022E-03
1.226430E+03 8.263218E-03
6.112690E+02 1.700162E-02
3.113080E+02 3.230925E-02
1.616240E+02 5.300739E-02
8.537670E+01 6.470433E-02
4.579110E+01 2.828077E-02
2.486770E+01 -9.137907E-02
1.362020E+01 -2.999505E-01
7.481060E+00 -3.644776E-01
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****
Zn 0
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****
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