%chk=000239906.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000239906

0 1
S 2.595272 -1.008351 -0.723562
S -2.207325 -1.188957 0.804564
O -0.701583 3.052411 -1.866842
O 0.177915 3.635270 1.545216
O 2.334139 3.556563 -1.589553
O -2.617396 2.465454 1.438997
O 2.206222 0.592970 -0.330475
O -0.860645 -0.207038 0.490679
O 3.848805 -0.940000 -1.428190
O 1.436212 -1.548359 -1.405714
O -3.232974 -0.301508 1.323256
O -1.668749 -2.222220 1.649754
C 0.136128 3.555070 -0.812254
C -0.742889 3.451470 0.456035
C 1.469102 2.778078 -0.737379
C -1.509128 2.118163 0.595407
C 1.406305 1.338846 -1.269295
C -0.694901 0.993713 1.256070
C 2.786022 -1.657251 0.847272
C -2.596067 -1.741733 -0.761746
C 1.663889 -2.015654 1.603121
C -3.941501 -1.791868 -1.159753
C 4.073608 -1.831886 1.374572
C -1.587036 -2.139557 -1.645987
C 1.827966 -2.553887 2.883640
C -4.275024 -2.254833 -2.431506
C 4.236286 -2.367009 2.653015
C -1.924597 -2.601584 -2.923618
C 3.111649 -2.728663 3.407276
C -3.263647 -2.662264 -3.314042
H 0.372931 4.630047 -1.019748
H -1.488010 4.286623 0.471045
H 1.875823 2.794405 0.307502
H -1.895530 1.797388 -0.405229
H 0.376860 0.920130 -1.265616
H 1.839724 1.263052 -2.283046
H 0.403043 1.173506 1.208973
H -0.986248 0.840333 2.310471
H -0.291746 3.260033 -2.736905
H -0.329965 3.723642 2.385009
H 3.263678 3.259664 -1.488376
H -3.221528 1.672725 1.549498
H 0.647310 -1.880845 1.204749
H -4.731301 -1.460742 -0.476845
H 4.952744 -1.553249 0.781903
H -0.521184 -2.080388 -1.360174
H 0.946423 -2.836819 3.462863
H -5.318284 -2.297072 -2.741750
H 5.235558 -2.504049 3.063964
H -1.132815 -2.907654 -3.609041
H 3.240389 -3.148396 4.406314
H -3.526832 -3.023917 -4.309521


%chk=000239906-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000239906

0 1
S 2.793230 -1.129850 -0.828880
S -2.339722 -1.253845 1.048896
O -0.395962 3.277599 -2.171537
O -0.556407 4.026297 1.422120
O 2.494563 3.501508 -1.246677
O -3.009243 2.456662 0.945425
O 2.521436 0.677833 -0.377991
O -0.791646 -0.199586 0.815436
O 4.153535 -1.238666 -1.693787
O 1.395003 -1.692461 -1.438308
O -3.544068 -0.288361 1.588130
O -1.855782 -2.502201 1.947940
C 0.148718 3.584864 -0.840052
C -1.034657 3.480525 0.139537
C 1.421951 2.761979 -0.549799
C -1.699371 2.108638 0.366043
C 1.377303 1.315226 -1.080905
C -0.917495 1.184359 1.334300
C 3.081186 -1.820454 0.896330
C -2.704014 -1.733749 -0.738438
C 1.964171 -2.010537 1.726388
C -4.049365 -1.655627 -1.139452
C 4.402469 -2.141913 1.245304
C -1.642587 -2.148990 -1.558866
C 2.201381 -2.573014 3.001893
C -4.347644 -2.039324 -2.467053
C 4.612026 -2.699482 2.528025
C -1.973271 -2.521045 -2.883422
C 3.516972 -2.913390 3.398639
C -3.314667 -2.473295 -3.330950
H 0.481569 4.642063 -0.789873
H -1.829731 4.126283 -0.284234
H 1.615493 2.760740 0.541689
H -1.822812 1.597169 -0.611799
H 0.443432 0.780947 -0.844632
H 1.536448 1.311407 -2.173595
H 0.135639 1.484270 1.465500
H -1.392118 1.188707 2.333376
H 0.277665 3.555472 -2.842615
H -1.351885 4.119315 2.006934
H 3.344632 3.006522 -1.123829
H -3.463660 1.606637 1.212350
H 0.953744 -1.732402 1.410525
H -4.825986 -1.301985 -0.454659
H 5.224357 -1.975541 0.541882
H -0.598702 -2.149855 -1.226212
H 1.354127 -2.742934 3.673540
H -5.382986 -1.994344 -2.819324
H 5.626553 -2.966969 2.840280
H -1.171465 -2.836462 -3.558048
H 3.689189 -3.349843 4.388297
H -3.554448 -2.765094 -4.358844


