%chk=000247305.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000247305

0 1
S -2.249401 1.325051 1.673998
S -2.458432 -2.038756 1.547717
O 5.259389 -1.150392 0.025091
O -4.832176 0.080716 1.045351
C -0.074034 -0.370431 0.128825
C 0.811311 0.833405 -0.325210
C -1.481747 -0.289845 -0.542399
C 2.152997 0.710548 0.409449
C 2.898635 -0.592171 -0.026235
C -2.149586 1.068570 -0.160420
C 0.640575 -1.713572 -0.147292
C 0.134196 2.181456 -0.029865
C 2.057703 -1.786886 0.450850
C -1.282043 2.254375 -0.611812
C 3.211151 1.817213 0.252471
C 4.256101 -0.390166 0.717325
C -2.375643 -1.513901 -0.209860
C 4.543516 1.132175 0.637333
C -3.577321 1.181596 -0.696209
C -1.308943 -0.335189 -2.085938
C 3.164631 -0.692429 -1.533085
C -3.819136 -1.363672 -0.688601
C -4.468886 -0.019113 -0.348968
H -0.204326 -0.289509 1.238926
H 0.982784 0.762326 -1.426570
H 1.925032 0.633420 1.505071
H 0.700376 -1.888624 -1.239938
H 0.046023 -2.551463 0.265130
H 0.745295 3.002342 -0.452654
H 0.115174 2.371692 1.062647
H 2.002676 -1.810413 1.554498
H 2.541432 -2.736759 0.154163
H -1.754014 3.214006 -0.315919
H -1.231076 2.285154 -1.719036
H 2.996545 2.682186 0.898341
H 3.246464 2.197506 -0.781865
H 4.220673 -0.751987 1.763665
H -1.930476 -2.408231 -0.724359
H 5.319311 1.329315 -0.122281
H 4.928929 1.517459 1.592583
H -3.555435 1.300612 -1.799578
H -4.062158 2.109472 -0.321308
H -2.262894 -0.250659 -2.613222
H -0.664761 0.479558 -2.441853
H -0.831605 -1.269634 -2.403595
H -4.449220 -2.191341 -0.296942
H -3.846155 -1.497962 -1.792486
H 2.246289 -0.845201 -2.106065
H 3.661515 0.204706 -1.916228
H 3.841434 -1.535099 -1.738695
H -5.452131 0.079999 -0.872373
H -3.582462 1.059983 1.879458
H 6.124675 -1.042109 0.458936
H -1.669593 -1.104815 2.144845
H -4.611075 -0.748015 1.539686


%chk=000247305-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000247305

0 1
S -2.188427 1.330200 1.839755
S -2.395567 -2.113921 1.626694
O 5.299621 -1.303165 0.389611
O -4.843936 -0.074045 1.195383
C -0.048199 -0.376441 0.024196
C 0.835725 0.850746 -0.396214
C -1.499726 -0.288074 -0.574442
C 2.189943 0.721295 0.330328
C 2.953352 -0.589816 -0.039243
C -2.163824 1.078461 -0.126693
C 0.668840 -1.725887 -0.260515
C 0.140516 2.200946 -0.088835
C 2.083019 -1.797073 0.380467
C -1.311294 2.274102 -0.616317
C 3.256052 1.840548 0.177589
C 4.239439 -0.370778 0.800599
C -2.400451 -1.528546 -0.222057
C 4.598722 1.138055 0.585646
C -3.639626 1.190538 -0.584233
C -1.407208 -0.317614 -2.146171
C 3.333823 -0.685871 -1.540686
C -3.858434 -1.358118 -0.713184
C -4.520432 -0.040631 -0.262185
H -0.159820 -0.306819 1.127910
H 1.031763 0.805419 -1.487984
H 1.954432 0.650067 1.418074
H 0.752654 -1.896602 -1.351588
H 0.061716 -2.552954 0.152732
H 0.730774 3.030648 -0.523563
H 0.129420 2.364271 1.008090
H 1.975476 -1.799778 1.485651
H 2.576661 -2.747656 0.101701
H -1.789266 3.212780 -0.278320
H -1.314194 2.289678 -1.724884
H 3.030500 2.713667 0.814949
H 3.301645 2.203456 -0.867052
H 3.993541 -0.544396 1.873221
H -1.970938 -2.411229 -0.726291
H 5.349080 1.211228 -0.223335
H 5.041388 1.587349 1.493619
H -3.664456 1.340563 -1.682624
H -4.096981 2.093077 -0.138232
H -2.358035 -0.050928 -2.635965
H -0.640210 0.375074 -2.523804
H -1.131469 -1.331443 -2.487800
H -4.466010 -2.217416 -0.372802
H -3.872255 -1.387333 -1.820264
H 2.447933 -0.829389 -2.182717
H 3.861702 0.216958 -1.895465
H 4.012554 -1.542969 -1.687680
H -5.492537 0.077546 -0.777234
H -3.554843 0.963072 1.909038
H 6.088977 -1.168255 0.971147
H -2.067163 -0.830229 2.135059
H -4.493869 -0.935869 1.572420


