%chk=000232264.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000232264

0 1
S -0.015693 1.269819 -0.105985
O -3.567439 -0.206014 0.508567
O 3.549510 -0.183952 -0.694138
N -3.006750 1.656383 -0.657463
N 2.971416 1.693939 0.438143
N -4.344160 2.127022 -0.719984
N 4.304547 2.177610 0.492647
C -0.737295 -1.199866 -0.060626
C 0.728537 -1.193564 -0.106972
C -1.263221 0.066560 -0.071198
C 1.242835 0.077600 -0.119195
C -1.524254 -2.450901 -0.015738
C 1.526863 -2.437986 -0.129636
C -2.681934 0.443528 -0.031168
C 2.657994 0.466943 -0.166055
H -1.536146 -2.957672 -0.992661
H -1.125356 -3.164052 0.720615
H -2.579842 -2.261651 0.265897
H 1.541069 -2.928672 0.855416
H 1.135969 -3.166549 -0.855147
H 2.581307 -2.243912 -0.412222
H -2.378801 2.191663 -1.260295
H 2.338818 2.233323 1.032349
H -4.971297 1.368288 -1.028907
H -4.659155 2.370202 0.231293
H 4.938750 1.429457 0.812716
H 4.616727 2.409053 -0.462453


%chk=000232264-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000232264

0 1
S -0.015960 1.334861 -0.104328
O -3.667630 -0.373913 0.246406
O 3.651168 -0.346090 -0.429063
N -3.025555 1.722200 -0.513432
N 2.989808 1.757238 0.293345
N -4.351085 2.227096 -0.535594
N 4.310522 2.274859 0.305480
C -0.732615 -1.231535 -0.073114
C 0.724060 -1.225069 -0.093060
C -1.296012 0.046504 -0.086843
C 1.275810 0.058115 -0.101701
C -1.517676 -2.521840 -0.060609
C 1.520848 -2.508234 -0.084153
C -2.734099 0.421625 -0.097135
C 2.710408 0.446556 -0.098789
H -1.253899 -3.145197 -0.935975
H -1.270128 -3.113906 0.841258
H -2.599331 -2.328690 -0.057067
H 1.263952 -3.118644 0.802325
H 1.277386 -3.118039 -0.975226
H 2.600662 -2.305250 -0.092620
H -2.313409 2.346247 -0.898168
H 2.272014 2.381344 0.667350
H -4.948098 1.641623 -1.138116
H -4.735963 2.262104 0.419295
H 4.913464 1.705590 0.917541
H 4.694355 2.297042 -0.650209


