%chk=000273360.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000273360

0 1
S 2.956613 0.834617 0.038490
O -0.799849 2.433790 -0.347315
O 2.915588 1.834879 1.086036
O 4.228893 0.391282 -0.495514
O -0.550920 2.491208 -2.598378
N 2.121201 1.533076 -1.308867
C 1.996032 -0.523517 0.451583
C 1.398200 2.794075 -1.107097
C 2.580362 -1.796807 0.487837
C 0.637076 -0.372502 0.754405
C 0.452855 -2.762463 1.137407
C 1.818021 -2.911302 0.831532
C -0.130693 -1.485053 1.096635
C -2.249025 2.289150 -0.465621
C -0.055490 2.550498 -1.500968
C -2.627122 0.835450 -0.479147
C -0.369324 -3.949000 1.513860
C -2.304280 0.035155 -1.585147
C -3.333406 0.283870 0.599330
C -2.687623 -1.307769 -1.610246
C -3.723755 -1.058361 0.564714
C -3.400803 -1.855254 -0.538126
H 2.515148 1.437267 -2.250928
H 1.458017 3.143231 -0.038455
H 1.793113 3.629967 -1.731734
H 3.642329 -1.918955 0.240793
H 0.160712 0.617334 0.716709
H 2.279782 -3.896192 0.861036
H -1.190757 -1.359234 1.320618
H -2.594032 2.813175 -1.379589
H -2.596302 2.829113 0.435673
H -0.402542 -4.066200 2.608713
H -1.409603 -3.860342 1.168875
H 0.027020 -4.887584 1.102867
H -1.753896 0.468760 -2.425891
H -3.583695 0.897213 1.463457
H -2.433344 -1.927336 -2.469394
H -4.283578 -1.480947 1.397310
H -3.708423 -2.898795 -0.565762


%chk=000273360-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000273360

0 1
S 2.935347 0.860100 0.016168
O -0.746747 2.402387 -0.374081
O 2.784038 2.025599 1.148186
O 4.401179 0.404812 -0.535086
O -0.680685 3.322968 -2.524114
N 1.887859 1.450571 -1.447083
C 2.013197 -0.687390 0.546781
C 1.422567 2.849689 -1.315251
C 2.755719 -1.873681 0.641728
C 0.641060 -0.596583 0.829161
C 0.686303 -3.007104 1.363023
C 2.072088 -3.038252 1.058391
C -0.015871 -1.777513 1.234938
C -2.256246 2.380555 -0.411701
C -0.094098 2.896888 -1.503996
C -2.763270 0.963525 -0.548695
C -0.035102 -4.258517 1.828695
C -2.617234 0.267414 -1.776925
C -3.400424 0.317894 0.540104
C -3.096972 -1.052853 -1.909386
C -3.891669 -1.001484 0.405431
C -3.738227 -1.690121 -0.819797
H 2.467614 1.263569 -2.283606
H 1.678567 3.213735 -0.297157
H 1.884516 3.517424 -2.062276
H 3.821160 -1.883013 0.390573
H 0.096303 0.345201 0.706843
H 2.624251 -3.981165 1.142048
H -1.092249 -1.741015 1.437839
H -2.570977 3.019746 -1.255537
H -2.552997 2.833615 0.547264
H -0.129403 -4.269916 2.931808
H -1.056993 -4.312355 1.413420
H 0.505307 -5.174300 1.534083
H -2.129171 0.764477 -2.623474
H -3.519925 0.850840 1.491741
H -2.979069 -1.583215 -2.860674
H -4.397155 -1.485536 1.248693
H -4.120088 -2.711500 -0.928375


