%chk=000201015.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000201015

0 1
S -0.184963 1.052812 -1.351514
S -1.396894 1.181777 1.905241
P -1.749303 0.846281 0.033340
O -2.271138 -0.700380 -0.293894
C -3.096990 1.870327 -0.771875
C 1.054602 0.017218 -0.634524
C -2.791263 3.349805 -0.639379
C 2.022206 0.548764 0.230017
C -2.033095 -1.722955 0.726065
C 1.065817 -1.326754 -1.021911
C 3.024288 -0.320667 0.707889
C 2.009053 1.972966 0.659189
C 2.066413 -2.169990 -0.539270
C -2.553026 -2.980450 0.052625
C 3.044257 -1.661056 0.327197
H -3.216024 1.575031 -1.836020
H -4.067329 1.623738 -0.284886
H -3.614334 3.947058 -1.059536
H -2.681972 3.675831 0.407782
H -1.883164 3.657431 -1.177391
H -0.951430 -1.786183 0.950375
H -2.605010 -1.471637 1.640018
H 0.298027 -1.714974 -1.695175
H 3.785672 0.061824 1.385864
H 2.967788 2.300258 1.080906
H 1.765208 2.664298 -0.160619
H 1.245136 2.134433 1.444678
H 2.089571 -3.216701 -0.833347
H -2.459426 -3.851614 0.710485
H -3.610879 -2.872467 -0.224193
H -2.007182 -3.189788 -0.876823
H 3.825387 -2.320439 0.706187


%chk=000201015-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000201015

0 1
S -0.208308 0.248719 -1.553162
S -1.054967 0.372615 2.095810
P -1.815724 0.415743 0.167304
O -2.981993 -0.820723 -0.251931
C -2.859658 1.889903 -0.346727
C 1.302560 -0.184246 -0.598973
C -2.145045 3.231503 -0.121122
C 2.120777 0.824306 -0.010340
C -2.642333 -2.239162 0.033508
C 1.660952 -1.552475 -0.524852
C 3.306997 0.402310 0.645634
C 1.757347 2.294275 -0.053005
C 2.845151 -1.945382 0.133267
C -3.902269 -3.050499 -0.257580
C 3.669984 -0.959915 0.721712
H -3.113164 1.723763 -1.408292
H -3.786408 1.811033 0.248566
H -2.817976 4.059696 -0.406117
H -1.867942 3.362503 0.939942
H -1.229679 3.307714 -0.733456
H -1.801362 -2.539837 -0.622598
H -2.326533 -2.330563 1.090975
H 1.009966 -2.299833 -0.990178
H 3.950866 1.161359 1.105252
H 2.602326 2.919976 0.281133
H 1.461364 2.608884 -1.069161
H 0.899022 2.495624 0.616186
H 3.117579 -3.004828 0.186690
H -3.707738 -4.123787 -0.076043
H -4.731290 -2.729821 0.395800
H -4.214593 -2.924588 -1.308242
H 4.592094 -1.250469 1.237500


