%chk=000234197.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000234197

0 1
S 1.323270 1.583081 0.000188
S -1.323252 -1.583182 -0.000077
S 4.551617 -1.438014 0.001059
S -4.551600 1.437914 0.000821
N -1.481037 1.053667 0.000158
N 1.481053 -1.053767 0.000039
C -0.148507 0.690779 0.000146
C 0.148524 -0.690879 0.000057
C 2.242072 0.035160 0.000179
C -2.242056 -0.035260 0.000124
C 3.668232 0.066221 0.000250
C -3.668215 -0.066322 0.000196
C 4.539397 1.127800 -0.000334
C -4.539381 -1.127901 -0.000261
C 5.917505 0.719384 -0.000090
C -5.917488 -0.719483 -0.000082
C 6.082289 -0.637019 0.000741
C -6.082272 0.636921 0.000568
H 4.252669 2.171616 -0.000911
H -4.252653 -2.171717 -0.000690
H 6.724773 1.440200 -0.000500
H -6.724758 -1.440299 -0.000415
H 7.007459 -1.190096 0.001039
H -7.007442 1.189997 0.000794


%chk=000234197-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000234197

0 1
S 1.324890 1.687174 0.000098
S -1.324874 -1.687273 0.000005
S 4.590203 -1.518458 0.000656
S -4.590187 1.518358 0.000461
N -1.492819 1.028209 0.000103
N 1.492836 -1.028309 0.000082
C -0.168103 0.685857 0.000109
C 0.168119 -0.685957 0.000085
C 2.265734 0.067612 0.000131
C -2.265717 -0.067712 0.000098
C 3.703048 0.064648 0.000180
C -3.703032 -0.064748 0.000130
C 4.597724 1.140020 -0.000104
C -4.597707 -1.140120 -0.000068
C 5.976168 0.742483 0.000053
C -5.976151 -0.742583 0.000038
C 6.149034 -0.636773 0.000468
C -6.149018 0.636673 0.000330
H 4.272087 2.184261 -0.000452
H -4.272070 -2.184361 -0.000307
H 6.809400 1.448821 -0.000137
H -6.809383 -1.448921 -0.000094
H 7.077354 -1.206174 0.000665
H -7.077338 1.206074 0.000468