%chk=000257559.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000257559

0 1
S 1.620700 -0.776896 -1.392120
S -1.620680 -0.763410 1.399516
O 0.990647 0.320142 -2.117186
O 1.706773 -2.081081 -2.026584
O -0.990558 0.340489 2.114034
O -1.706833 -2.061448 2.046452
O 8.165021 -1.031849 0.484430
O -8.165011 -1.035951 -0.474469
N 7.042712 0.978055 0.301978
N -7.042587 0.975547 -0.311324
C 0.745008 -0.969429 0.142232
C -0.745002 -0.970695 -0.132920
C 3.198319 -0.286024 -0.895438
C -3.198270 -0.277224 0.898153
C 3.487137 1.072169 -0.717725
C -3.487001 1.079219 0.707414
C 4.206574 -1.239263 -0.707570
C -4.206586 -1.232158 0.719446
C 4.755808 1.481547 -0.320269
C -4.755648 1.484845 0.306053
C 5.483872 -0.855612 -0.308820
C -5.483862 -0.852269 0.317038
C 5.763925 0.509733 -0.108866
C -5.763828 0.511111 0.103991
C 8.186975 0.174609 0.577844
C -8.186898 0.169556 -0.579459
C 9.389928 0.973082 0.987820
C -9.389808 0.964127 -0.997073
H 1.011159 -0.159415 0.863473
H 1.045096 -1.905855 0.661994
H -1.011096 -0.167609 -0.861889
H -1.045156 -1.912035 -0.643688
H 2.710238 1.824865 -0.900387
H -2.710053 1.833584 0.882841
H 3.994996 -2.301989 -0.883765
H -3.995076 -2.293157 0.905832
H 4.962077 2.539553 -0.182294
H -4.961850 2.541492 0.157931
H 6.264366 -1.611187 -0.158966
H -6.264406 -1.609196 0.174445
H 7.132567 1.992816 0.403995
H -7.132382 1.989287 -0.423076
H 9.722593 1.671334 0.207434
H 10.238484 0.293629 1.185933
H 9.225130 1.546501 1.910460
H -9.722401 1.669894 -0.223446
H -10.238418 0.282856 -1.188603
H -9.224995 1.528612 -1.925204


%chk=000257559-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000257559

0 1
S 1.330897 -1.827191 -1.461725
S -1.332029 -1.815933 1.479200
O 0.029736 -0.865723 -1.758904
O 1.943841 -2.747888 -2.666617
O -0.030165 -0.853638 1.770593
O -1.946557 -2.727780 2.690013
O 7.745528 0.951607 -0.672942
O -7.745917 0.956162 0.661373
N 5.914231 1.564313 0.665243
N -5.913140 1.558877 -0.679293
C 0.753421 -3.042622 -0.015863
C -0.754916 -3.041973 0.042184
C 2.748257 -0.801780 -0.762033
C -2.748384 -0.794850 0.770948
C 2.509002 0.089020 0.300072
C -2.507922 0.087748 -0.297703
C 3.997381 -0.944835 -1.386985
C -3.998243 -0.933141 1.395516
C 3.594027 0.860554 0.753384
C -3.592486 0.855528 -0.758419
C 5.078336 -0.163877 -0.930206
C -5.078751 -0.155976 0.931235
C 4.878246 0.745285 0.146854
C -4.877500 0.744604 -0.152792
C 7.257591 1.643605 0.264062
C -7.257144 1.640552 -0.280777
C 8.077376 2.647978 1.071976
C -8.076367 2.637758 -1.098098
H 1.226428 -2.623269 0.889664
H 1.192490 -4.007247 -0.313353
H -1.227612 -2.628844 -0.866367
H -1.194572 -4.004166 0.346599
H 1.523564 0.159531 0.774732
H -1.521961 0.154595 -0.771777
H 4.115609 -1.649143 -2.217410
H -4.117433 -1.630984 2.231243
H 3.440648 1.554310 1.589260
H -3.438156 1.542727 -1.599519
H 6.065232 -0.244651 -1.387767
H -6.066246 -0.233331 1.388097
H 5.642768 2.176683 1.438853
H -5.640923 2.164907 -1.457614
H 7.661513 3.669021 0.986269
H 9.106090 2.652103 0.685155
H 8.102452 2.375504 2.143446
H -7.662588 3.660111 -1.018102
H -9.106225 2.642701 -0.714348
H -8.097728 2.357959 -2.167760


