%chk=000290422.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000290422

0 1
S -3.998817 0.737416 -1.014804
O -0.367351 1.251195 2.351535
O -0.163612 -2.402436 -2.338065
N -1.668085 -0.563690 -1.023416
N -2.012178 0.985937 0.772010
C 1.445197 -0.602375 1.191134
C 0.104508 -0.308453 0.595383
C 2.598380 -0.316999 0.266076
C -0.384599 -0.891917 -0.532984
C -0.731472 0.700820 1.337422
C 3.608730 -1.273590 0.086155
C 2.681550 0.915581 -0.399982
C -2.416304 0.384136 -0.321216
C 4.686828 -1.000382 -0.761088
C 3.759939 1.181434 -1.246618
C 0.356755 -1.915711 -1.360513
C 4.763094 0.223768 -1.431664
C -4.686546 1.979178 0.140088
C -6.052901 2.322111 -0.403152
H 1.467866 -1.649269 1.564065
H 1.580876 0.019879 2.118644
H -1.999083 -1.026288 -1.878394
H 3.567491 -2.224163 0.613727
H 1.908289 1.668353 -0.247529
H 5.470891 -1.744381 -0.896094
H 3.821283 2.139834 -1.761213
H 1.370265 -2.173335 -1.016798
H 5.602437 0.433718 -2.091711
H -4.725182 1.558036 1.165829
H -4.011747 2.858346 0.192300
H -6.013808 2.755491 -1.412805
H -6.727229 1.454511 -0.439567
H -6.542566 3.071245 0.239346


%chk=000290422-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000290422

0 1
S -4.104244 0.662962 -1.107116
O -0.383976 1.290818 2.322203
O -0.286608 -2.466188 -2.392054
N -1.702213 -0.598201 -1.040002
N -2.065916 0.967055 0.718638
C 1.448809 -0.589799 1.170131
C 0.080739 -0.307918 0.570652
C 2.644285 -0.310136 0.257814
C -0.424457 -0.919183 -0.569318
C -0.782671 0.697885 1.275478
C 3.692712 -1.256089 0.134394
C 2.747146 0.917018 -0.447108
C -2.469409 0.340344 -0.370156
C 4.817969 -0.986870 -0.677962
C 3.868785 1.187221 -1.260406
C 0.274629 -1.943854 -1.386904
C 4.908601 0.235498 -1.380930
C -4.745503 1.964616 0.125037
C -6.151370 2.397827 -0.306975
H 1.497115 -1.636588 1.528418
H 1.509683 0.052746 2.070495
H -2.019574 -1.091832 -1.885233
H 3.633410 -2.204963 0.683125
H 1.951475 1.665401 -0.350347
H 5.619642 -1.729100 -0.761529
H 3.935044 2.140599 -1.796503
H 1.301244 -2.218809 -1.077650
H 5.778630 0.445485 -2.012508
H -4.725588 1.493471 1.119229
H -4.018262 2.790316 0.117001
H -6.150045 2.852557 -1.313136
H -6.860342 1.551404 -0.306520
H -6.526843 3.154306 0.405841


