This script interfaces Gaussian to TorchANI using Gaussian's External. TorchANI must be installed.
%chk=optimization.chk
%mem=500MB
#external="Gau_External.ani" opt=(nomicro,modredundant)
a
0 1
C 1.00000 1.00000 0.00000
C -0.47030 1.00000 0.00000
C 1.70660 -0.04310 0.63640
C 1.72220 2.03380 -0.63570
C -1.31040 -0.15350 -0.00840
C -1.21860 2.16320 0.01570
C -2.65370 0.16440 -0.00170
H -0.97350 -1.17980 -0.02650
S -2.89780 1.85240 0.01810
H -3.50400 -0.50190 -0.00860
H -0.86940 3.18460 0.03890
C 3.11560 -0.05220 0.64030
H 1.16840 -0.83580 1.13420
C 3.82890 0.98260 0.00560
H 3.64800 -0.85300 1.13300
C 3.13120 2.02570 -0.63300
H 4.90970 0.97610 0.00800
H 3.67550 2.81930 -1.12410
H 1.19740 2.83220 -1.13860
D 3 1 2 5 -180.0 B
D 3 1 2 5 S 72 5.0