/usr/share/gdis/models/butane.gin is in gdis-data 0.90-4.
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 butane1
cartesian
C1 core -1.95042 -0.03671 0.64453 0.0
C2 core -0.73061 0.47565 -0.12518 0.0
H1 core -2.40373 -0.90139 0.13556 0.0
H2 core -1.66931 -0.35432 1.66065 0.0
H3 core -2.71985 0.74570 0.73497 0.0
C3 core 0.05107 -0.67541 -0.75894 0.0
H4 core -1.04687 1.18623 -0.90488 0.0
H5 core -0.06173 1.03462 0.54953 0.0
C4 core 1.52419 -0.30905 -0.93236 0.0
H6 core -0.03542 -1.57150 -0.12586 0.0
H7 core -0.38906 -0.93393 -1.73403 0.0
H8 core 2.16682 -1.17855 -0.71846 0.0
H9 core 1.72338 0.00599 -1.96974 0.0
H10 core 2.06243 0.42327 -0.38837 0.0
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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