%chk=000262085.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000262085

0 1
S 1.020434 -2.299670 -0.475377
O -0.924263 1.685509 0.286558
O -5.298848 -0.256369 -0.122691
O 6.687540 0.152422 0.352645
O -5.598722 1.975945 0.292251
C -1.142544 -0.710836 -0.171087
C 1.072893 0.340397 0.063026
C -1.706279 0.560643 0.065191
C 0.298679 -0.870581 -0.190812
C 2.546609 0.274189 0.095091
C -2.040565 -1.789489 -0.382176
C 0.447755 1.522479 0.278438
C -3.087224 0.806189 0.098303
C -3.914669 -0.289335 -0.116339
C 3.228868 0.500939 1.306604
C 3.268090 -0.019621 -1.070520
C -3.409532 -1.590722 -0.357034
C 4.616201 0.452329 1.352554
C 4.664764 -0.071370 -1.047635
C 5.322819 0.163370 0.165788
C -6.078254 0.897600 0.086920
C 7.523379 -0.178282 -0.782361
C -7.495184 0.464204 -0.005400
H -1.634322 -2.792227 -0.567154
H 0.888790 2.497747 0.472239
H -3.469316 1.814059 0.285217
H 2.664231 0.705582 2.216183
H 2.738945 -0.211718 -2.005241
H -4.107980 -2.410664 -0.517514
H 5.165428 0.620449 2.275705
H 5.210558 -0.301397 -1.955914
H 7.404543 0.568866 -1.571919
H 7.299829 -1.188424 -1.137841
H 8.528004 -0.130072 -0.342304
H -7.600487 -0.615696 -0.210452
H -8.019272 1.007904 -0.809683
H -8.031699 0.677348 0.934841


%chk=000262085-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000262085

0 1
S 0.953566 -2.502959 -0.772485
O -0.912699 1.563899 0.423381
O -5.418774 -0.253228 -0.149713
O 6.813158 0.404214 0.368348
O -5.693802 1.979772 0.554259
C -1.185285 -0.769518 -0.304081
C 1.089946 0.190045 0.021555
C -1.742252 0.480584 0.085345
C 0.277518 -0.977849 -0.351666
C 2.580950 0.190690 0.077625
C -2.118629 -1.798711 -0.629320
C 0.458640 1.373920 0.363845
C -3.126682 0.742095 0.164626
C -3.997610 -0.311040 -0.166157
C 3.245723 0.730242 1.215293
C 3.376638 -0.295230 -0.990491
C -3.496988 -1.582506 -0.563887
C 4.648217 0.790103 1.283650
C 4.784969 -0.238216 -0.940192
C 5.424435 0.305174 0.202431
C -6.183584 0.887938 0.208141
C 7.663483 -0.113710 -0.706370
C -7.655093 0.560935 0.104017
H -1.708772 -2.767913 -0.930815
H 0.985646 2.296438 0.613327
H -3.483760 1.724545 0.471087
H 2.655720 1.076801 2.071856
H 2.891130 -0.719924 -1.872434
H -4.210669 -2.372320 -0.812840
H 5.160524 1.190759 2.163065
H 5.364682 -0.617517 -1.786561
H 7.494841 0.434870 -1.653166
H 7.492443 -1.195373 -0.868029
H 8.694324 0.051794 -0.360751
H -7.817240 -0.473541 -0.227979
H -8.133149 1.259995 -0.604106
H -8.132366 0.716439 1.087292


