/usr/share/gdis/models/butanol.gin is in gdis-data 0.90-5.
This file is owned by root:root, with mode 0o644.
The actual contents of the file can be viewed below.
1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 | opti conp molmec
maxcyc 500
name butanol1_min
cartesian
C1 core -1.95042 -0.03671 0.64453 -0.159
C2 core -0.80330 0.47940 -0.22734 -0.106
H1 core -2.58333 -0.74430 0.08694 0.053
H2 core -1.56416 -0.55932 1.53338 0.053
H3 core -2.58934 0.79096 0.98966 0.053
C3 core -0.06294 -0.67075 -0.90975 -0.106
H4 core -1.18919 1.17843 -0.98565 0.053
H5 core -0.08657 1.05081 0.38535 0.053
C4 core 1.44805 -0.45598 -0.84378 0.054
H6 core -0.32633 -1.62210 -0.42286 0.053
H7 core -0.38464 -0.75184 -1.95926 0.053
H8 core 1.93844 -1.30973 -0.34821 0.053
H9 core 1.87099 -0.37105 -1.85812 0.053
O1 core 1.73614 0.73242 -0.11827 -0.580
H10 core 2.68235 0.80914 -0.08124 0.420
harmonic k3 k4 bond kcal
C C 599.3400 -3010.6047 16315.2335 1.5300 0 0 0 0
harmonic k3 k4 bond kcal
C H 690.0000 -4151.3850 20270.2680 1.1010 0 0 0 0
harmonic k3 k4 bond kcal
C O 800.7908 -5011.1086 31512.3992 1.4200 0 0 0 0
harmonic k3 k4 bond kcal
O H 1080.7266 -7871.0399 51178.4566 0.9494 0 0 0 0
three k3 k4 bond kcal
C C C 79.0320 -44.6689 -229.4141 112.6700 0 0 0 0
three k3 k4 bond kcal
C C H 82.9060 -63.6221 123.0657 110.7700 0 0 0 0
three k3 k4 bond kcal
C C O 109.0762 -50.1969 -314.0086 111.2700 0 0 0 0
three k3 k4 bond kcal
C H H 79.2820 -77.5378 -58.3198 107.6600 0 0 0 0
three k3 k4 bond kcal
C O H 117.0892 -64.8440 -297.5939 108.7280 0 0 0 0
three k3 k4 bond kcal
O H C 105.4122 -72.6395 -236.7980 105.8000 0 0 0 0
torsion bond kcal
C C C C 0.0514 -2 0
torsion bond kcal
H C C C 0.0316 -2 0
torsion bond kcal
O C C C 0.7137 -1 0
torsion bond kcal
H C C H -0.1432 -1 0
torsion bond kcal
O C C H -0.1435 -1 0
torsion bond kcal
H O C C -0.6732 -1 0
torsion bond kcal
H O C H 0.1863 -1 0
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