%chk=000249145.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000249145

0 1
S 3.379589 -1.785344 1.494265
S -3.394171 2.076156 0.980541
O -1.102066 -1.151994 -0.694230
O 1.078495 0.875976 -0.976647
O 1.683523 -1.617787 1.472933
O -1.698212 1.907503 0.997979
O -3.102239 -1.622226 -1.445423
O 3.075260 1.124987 -1.835231
O 3.820639 -1.455654 0.155530
O 3.647858 -3.086337 2.029177
O -3.840857 1.399176 -0.218467
O -3.660594 3.473285 1.147204
O -2.831831 -1.267918 0.820738
O 2.814980 1.392775 0.443954
C -0.187003 -0.729365 0.371262
C 0.168453 0.755528 0.167253
C 0.993125 -1.704704 0.221512
C -1.013061 1.655344 -0.233808
C -2.415049 -1.334938 -0.318734
C 2.393129 1.151636 -0.669820
C 3.749108 -0.536392 2.621203
C -3.758419 1.176274 2.403195
C -4.580712 -1.469156 -1.323403
C 4.554300 1.009007 -1.682913
C -5.077025 -2.053695 -2.623142
C 5.044553 1.220069 -3.094454
H -0.679144 -0.854507 1.371808
H 0.664889 1.144636 1.095171
H 0.628499 -2.745657 0.109393
H 1.649681 -1.448307 -0.635949
H -0.649755 2.627908 -0.622647
H -1.672955 1.178425 -0.988226
H 3.077087 -0.516224 3.495450
H 4.767589 -0.585096 3.033390
H 3.655452 0.481266 2.173711
H -3.083829 1.392574 3.248446
H -4.775784 1.333290 2.790352
H -3.664550 0.075794 2.245700
H -4.762373 -0.378256 -1.217943
H -4.912264 -2.015556 -0.425983
H 4.736789 -0.012987 -1.287402
H 4.889722 1.777302 -0.968041
H -4.559545 -1.601309 -3.484211
H -4.899052 -3.135839 -2.683244
H -6.152167 -1.875675 -2.751779
H 4.522843 0.552731 -3.798987
H 4.866574 2.246036 -3.443779
H 6.119018 1.012245 -3.175103


%chk=000249145-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000249145

0 1
S 3.458221 -1.890917 1.539632
S -3.460205 2.193209 0.982482
O -1.160783 -1.048371 -0.636027
O 1.144697 0.739375 -0.891269
O 1.619589 -1.484638 1.752311
O -1.627194 1.824065 1.289664
O -3.126702 -1.573470 -1.523807
O 3.098604 1.037789 -1.901802
O 3.841273 -1.629025 -0.018239
O 3.788257 -3.322143 2.207617
O -3.863904 1.529348 -0.445597
O -3.758621 3.757346 1.243199
O -3.005474 -1.323237 0.804155
O 2.983355 1.441339 0.404445
C -0.285900 -0.695936 0.514336
C 0.273141 0.720244 0.313818
C 0.796405 -1.791076 0.566748
C -0.808522 1.788377 0.063180
C -2.493833 -1.315727 -0.342981
C 2.471761 1.104627 -0.692161
C 4.050044 -0.474379 2.651112
C -4.067900 1.137822 2.434508
C -4.622706 -1.697088 -1.440074
C 4.591541 1.210214 -1.864516
C -5.103357 -2.016857 -2.849088
C 5.061991 1.165323 -3.312102
H -0.890561 -0.701693 1.438849
H 0.879729 0.981227 1.199406
H 0.325368 -2.782519 0.685107
H 1.408415 -1.767283 -0.356131
H -0.335569 2.772508 -0.100761
H -1.423720 1.510058 -0.814682
H 3.516080 -0.606917 3.601475
H 5.135933 -0.609271 2.753727
H 3.766050 0.441584 2.112364
H -3.524918 1.510134 3.313377
H -5.150534 1.315449 2.499579
H -3.803184 0.105995 2.160290
H -5.005822 -0.730497 -1.067754
H -4.863832 -2.493755 -0.713687
H 4.996704 0.380926 -1.258054
H 4.816972 2.172119 -1.370137
H -4.822282 -1.213363 -3.549984
H -4.671785 -2.965405 -3.211097
H -6.204560 -2.111322 -2.850977
H 4.794794 0.203582 -3.780586
H 4.610355 1.980680 -3.902182
H 6.161084 1.276548 -3.347088


