%chk=000279081.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000279081

0 1
S -2.056127 0.388867 2.511149
O 0.227924 0.883556 1.562043
O 1.339796 -2.314608 0.835113
O 1.031764 0.519403 -1.362782
O -1.458168 -2.256647 0.863969
O 3.432728 2.055882 0.503703
O 0.624525 -4.198749 -0.210022
O 2.864021 0.009762 -2.587834
O -2.479689 -2.282839 -1.157856
O 3.199650 3.121985 -1.480611
C 0.623760 -1.460688 -0.104828
C 1.554227 -0.240105 -0.241355
C -0.736817 -1.057770 0.498460
C 1.551733 0.667244 1.008135
C -0.536475 -0.302524 1.813580
C 1.996061 2.109491 0.727987
C 1.240694 -3.690972 0.692998
C 1.829796 0.626373 -2.501728
C -2.881857 1.190396 1.177140
C -2.288815 -2.826833 -0.100451
C 2.011124 -4.324108 1.795759
C 1.190695 1.582916 -3.433218
C 3.924812 2.580641 -0.678139
C -2.800385 -4.112824 0.434906
C -2.211433 2.086948 0.342895
C -4.250736 0.947233 1.040744
C 5.390381 2.351028 -0.729141
C -2.931224 2.756082 -0.651676
C -4.963086 1.629686 0.048559
C -4.304829 2.530254 -0.796222
H 0.490162 -2.000264 -1.072786
H 2.601602 -0.572419 -0.466681
H -1.319992 -0.471809 -0.260060
H 2.178728 0.186523 1.796831
H -0.046748 -0.932917 2.591135
H 1.865131 2.753079 1.617379
H 1.471648 2.548949 -0.144233
H 1.335087 -4.848973 2.490659
H 2.587493 -3.593235 2.386100
H 2.717192 -5.072326 1.400043
H 1.363875 1.301667 -4.483023
H 0.104966 1.678465 -3.271068
H 1.631733 2.591351 -3.280089
H -3.780443 -4.362791 0.000863
H -2.101104 -4.930493 0.175965
H -2.895177 -4.104885 1.532138
H -1.136556 2.257443 0.463762
H -4.763004 0.237385 1.690413
H 5.924333 3.263782 -1.037721
H 5.803898 2.020463 0.237380
H 5.628266 1.568236 -1.472693
H -2.421511 3.456090 -1.311315
H -6.030927 1.453179 -0.069572
H -4.863000 3.054921 -1.570207


%chk=000279081-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000279081

0 1
S -2.199299 0.401961 2.649586
O 0.256783 1.009782 1.647339
O 1.378462 -2.244180 1.025348
O 0.962559 0.668724 -1.226006
O -1.471916 -2.220323 0.942352
O 3.656281 1.823270 0.452438
O 0.690617 -4.177289 -0.101373
O 2.793989 0.201327 -2.603666
O -2.280657 -2.253757 -1.249147
O 3.243427 3.314739 -1.302464
C 0.655544 -1.383723 0.042266
C 1.560169 -0.150948 -0.142624
C -0.720585 -0.988906 0.622475
C 1.613564 0.678398 1.152229
C -0.571147 -0.180572 1.920874
C 2.287987 2.045661 0.986979
C 1.295980 -3.640891 0.848819
C 1.700413 0.781783 -2.426656
C -2.988913 1.201869 1.179645
C -2.199730 -2.791926 -0.125994
C 2.024421 -4.345435 1.969303
C 1.004215 1.714639 -3.381626
C 4.005462 2.502840 -0.731821
C -2.797260 -4.108893 0.299474
C -2.438988 2.377629 0.615495
C -4.187197 0.650668 0.668225
C 5.370944 2.070788 -1.203914
C -3.093034 2.995848 -0.474749
C -4.843697 1.285207 -0.411918
C -4.296510 2.455436 -0.986609
H 0.526758 -1.941023 -0.901896
H 2.574746 -0.469503 -0.442286
H -1.259216 -0.399516 -0.142749
H 2.143999 0.063481 1.909548
H -0.117044 -0.797262 2.722101
H 2.394563 2.538398 1.966072
H 1.713842 2.684214 0.295583
H 1.388342 -4.348846 2.873290
H 2.960394 -3.821857 2.220913
H 2.232375 -5.385577 1.679118
H 1.253612 1.444518 -4.418872
H -0.085012 1.704011 -3.225327
H 1.377650 2.737569 -3.187317
H -3.635470 -4.372070 -0.362500
H -2.015985 -4.886311 0.209857
H -3.126753 -4.073627 1.349883
H -1.512437 2.789504 1.023652
H -4.596178 -0.264867 1.107993
H 5.851488 2.889527 -1.760736
H 6.002341 1.747791 -0.362691
H 5.236558 1.215016 -1.891803
H -2.665830 3.903151 -0.916319
H -5.771109 0.857702 -0.808315
H -4.803815 2.942351 -1.826983


