%chk=000286920.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000286920

0 1
S 0.436821 1.424359 0.485611
O -0.442627 -0.027317 0.229020
O 0.230527 1.774446 1.856247
O 0.085881 2.316029 -0.581146
O -6.519347 -1.676212 0.179233
O 6.315866 -0.933999 -1.499795
O 6.436136 -1.415052 0.608876
N 5.872070 -0.953427 -0.366261
C 2.007780 0.741805 0.240507
C -1.812655 -0.063385 0.155051
C 2.564440 0.736477 -1.042314
C 2.701385 0.200677 1.327457
C -4.569920 -0.359912 -0.003449
C 4.516975 -0.357940 -0.153172
C 3.831998 0.182768 -1.247947
C 3.969757 -0.356302 1.135384
C -2.584478 1.018029 -0.287730
C -2.383381 -1.298288 0.512185
C -3.969466 0.855731 -0.358777
C -3.764125 -1.434688 0.425411
C -6.044181 -0.584586 -0.061082
C -6.923816 0.579276 -0.419919
H 2.017321 1.169011 -1.890702
H 2.261432 0.213899 2.333777
H 4.287109 0.167951 -2.245913
H 4.530910 -0.786459 1.974075
H -2.129425 1.962689 -0.596293
H -1.745745 -2.115090 0.843284
H -4.578064 1.694585 -0.702362
H -4.245574 -2.383025 0.693209
H -7.985608 0.286409 -0.385361
H -6.799174 1.419773 0.274395
H -6.726421 0.945173 -1.435397


%chk=000286920-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000286920

0 1
S 0.472381 1.153191 1.037784
O -0.516145 -0.317939 0.065396
O 0.348076 0.959253 2.644962
O 0.119103 2.574796 0.334945
O -6.835711 -0.964581 1.007441
O 6.450668 -0.229693 -1.906036
O 6.649592 -1.502283 -0.021722
N 6.007448 -0.685770 -0.784784
C 2.173044 0.584183 0.476028
C -1.898686 -0.247352 0.110137
C 2.659672 1.080631 -0.744730
C 2.873731 -0.307321 1.305301
C -4.728231 -0.236485 0.101575
C 4.654919 -0.238350 -0.340041
C 3.938831 0.659236 -1.161547
C 4.152968 -0.726657 0.885608
C -2.599751 0.519745 -0.863959
C -2.611753 -0.986858 1.098787
C -4.005137 0.516077 -0.866764
C -4.014010 -0.985889 1.081271
C -6.234373 -0.270686 0.135730
C -7.015428 0.540946 -0.890594
H 2.067108 1.784098 -1.336950
H 2.441147 -0.646689 2.251193
H 4.382239 1.006351 -2.097979
H 4.755709 -1.416421 1.481394
H -2.025502 1.093399 -1.597791
H -2.045853 -1.551173 1.846389
H -4.539473 1.100554 -1.622275
H -4.594855 -1.551950 1.816591
H -8.092146 0.397463 -0.716598
H -6.776867 1.618070 -0.811856
H -6.770313 0.221509 -1.920805


