%chk=000179688.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000179688

0 1
S -0.095011 0.508571 1.830128
O -0.840198 3.226214 0.216616
O 2.785469 1.118245 2.173751
O 1.957375 2.406277 0.532994
O 3.368609 -1.187900 -1.893082
N 3.208683 -0.862571 0.354392
C -1.537346 1.018975 0.840992
C -1.057043 1.914551 -0.320109
C -2.375906 -0.150217 0.420443
C -3.069868 -0.099056 -0.812465
C -2.097071 2.070111 -1.398931
C 0.766590 -0.744877 0.840718
C -2.994832 1.109471 -1.644498
C 1.988083 -0.049991 0.231997
C -2.536514 -1.267134 1.250791
C -3.858358 -1.187939 -1.214239
C -3.327390 -2.344971 0.842011
C -3.979271 -2.311377 -0.393794
C 2.191574 1.296254 0.950695
C 3.841196 -1.385607 -0.789789
C 5.086399 -2.172486 -0.512373
H -2.138621 1.666904 1.545599
H -0.109807 1.540832 -0.779448
H -2.040424 3.005483 -1.955207
H 0.118370 -1.194472 0.063702
H 1.047076 -1.576501 1.518982
H -3.720580 1.193080 -2.454011
H 1.808601 0.171122 -0.867813
H -2.054771 -1.306189 2.229325
H -4.381537 -1.155038 -2.169155
H -3.437813 -3.211287 1.492384
H 0.115633 3.339751 0.459492
H -4.588536 -3.155402 -0.713221
H 3.572251 -0.998057 1.295294
H 5.509401 -2.549623 -1.459966
H 5.868274 -1.566032 -0.034263
H 4.900894 -3.047307 0.125147
H 2.911318 1.975095 2.667712


%chk=000179688-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000179688

0 1
S -0.416367 0.742473 2.177872
O -0.534693 3.099778 -0.040433
O 3.645136 1.310945 2.279079
O 2.072821 2.725615 1.328118
O 2.287757 -1.322054 -1.561989
N 3.195850 -0.601625 0.446190
C -1.629864 0.986605 0.727035
C -0.997770 1.781921 -0.445922
C -2.345142 -0.284705 0.258698
C -3.035947 -0.218013 -0.996454
C -2.027516 1.972928 -1.544013
C 0.931542 -0.364788 1.452919
C -2.954556 1.011068 -1.807336
C 2.099810 0.345916 0.681404
C -2.449103 -1.454794 1.039298
C -3.810137 -1.326120 -1.424105
C -3.211422 -2.561820 0.593573
C -3.895661 -2.496972 -0.640392
C 2.579227 1.587156 1.417329
C 3.215485 -1.389276 -0.700992
C 4.422488 -2.313163 -0.827855
H -2.370710 1.664377 1.202655
H -0.160631 1.179433 -0.875348
H -1.933245 2.887728 -2.138042
H 0.467970 -1.096757 0.771444
H 1.348548 -0.896214 2.325059
H -3.650437 1.121714 -2.647839
H 1.720527 0.664103 -0.304477
H -1.940235 -1.492238 2.009236
H -4.342948 -1.266147 -2.380958
H -3.273524 -3.464558 1.211338
H 0.265240 3.011279 0.550732
H -4.491844 -3.348292 -0.986835
H 3.945648 -0.649000 1.139365
H 4.328990 -2.890715 -1.758607
H 5.365127 -1.736590 -0.858331
H 4.478255 -3.015309 0.024130
H 3.906230 2.133014 2.775256


