%chk=000246746.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000246746

0 1
S 1.774278 -1.460780 0.342936
O 0.616231 0.025615 -1.478562
O 1.966185 -2.526248 -0.595684
O 1.340102 -1.779377 1.695562
O -0.667393 0.655695 -3.217263
N 0.401562 -0.465065 -0.176213
N -1.438358 -1.495491 1.035845
C -1.662342 -0.415225 -1.214166
C -0.986140 -0.831982 -0.074916
C -3.111541 -0.532831 -1.515938
C 3.074776 -0.362152 0.347512
C -0.710228 0.147138 -2.135734
C -3.976310 -0.086681 -0.363455
C 3.710352 -0.037961 1.555149
C 3.516756 0.221022 -0.849750
C 5.240719 1.421442 0.365804
C 4.788378 0.843455 1.566605
C 4.594057 1.103894 -0.842574
C -3.902363 1.235699 0.102865
C -4.857046 -0.988614 0.251030
C -4.702195 1.648359 1.169950
C -5.657443 -0.569882 1.318724
C 6.390406 2.369419 0.364517
C -5.580916 0.746462 1.781409
H -3.344491 -1.581795 -1.807030
H -3.358288 0.077173 -2.417693
H 3.357733 -0.479046 2.495697
H 3.007713 -0.007693 -1.795755
H -0.809158 -1.659954 1.826193
H -2.431635 -1.470786 1.241043
H 5.278895 1.087633 2.507644
H 4.931611 1.553651 -1.776014
H -3.216439 1.936270 -0.373378
H -4.931225 -2.012937 -0.109478
H -4.643997 2.676006 1.525850
H -6.345099 -1.272317 1.787167
H 6.076193 3.375142 0.042059
H 6.859887 2.482988 1.351229
H 7.180812 2.046385 -0.330800
H -6.205340 1.071468 2.610713


%chk=000246746-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000246746

0 1
S 1.662293 -1.140841 0.323095
O 0.375980 1.059893 -1.272136
O 1.668283 -2.242365 -0.884447
O 1.314669 -1.580336 1.871797
O -1.048505 1.195719 -3.199183
N 0.228744 0.548595 0.048295
N -1.420820 -0.717767 1.250292
C -1.783004 0.083735 -1.101512
C -1.076412 -0.093655 0.089250
C -3.166098 -0.419224 -1.445582
C 3.290090 -0.221619 0.309456
C -0.941497 0.779762 -2.037377
C -4.197714 -0.224554 -0.333478
C 3.712477 0.401718 1.494070
C 4.018054 -0.187793 -0.892740
C 5.722224 1.159608 0.278534
C 4.945342 1.090718 1.464820
C 5.244057 0.508470 -0.891428
C -4.442135 1.063848 0.210669
C -4.936645 -1.325932 0.168697
C -5.406943 1.246460 1.224611
C -5.904304 -1.146170 1.185979
C 7.038064 1.914027 0.250023
C -6.142345 0.141525 1.716844
H -3.116103 -1.495091 -1.709206
H -3.493080 0.105310 -2.364571
H 3.112506 0.334537 2.406622
H 3.645369 -0.696863 -1.786856
H -0.687542 -0.946110 1.934080
H -2.359432 -1.101483 1.355532
H 5.304630 1.581739 2.375913
H 5.835478 0.550607 -1.813217
H -3.872379 1.922316 -0.165177
H -4.763726 -2.326631 -0.247297
H -5.587061 2.248096 1.630813
H -6.469813 -2.007482 1.558790
H 6.988474 2.769254 -0.449683
H 7.304557 2.308003 1.244859
H 7.864395 1.263784 -0.091494
H -6.891429 0.284288 2.503443


