%chk=000293721.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000293721

0 1
S -3.305535 -0.768049 1.395787
O -3.178339 -0.068222 2.656463
O -3.214151 -2.212287 1.360229
O 2.898832 -1.573436 0.454529
O 2.238734 2.745913 0.132435
O 1.730952 -2.765830 -1.116938
O 3.666096 1.179655 -0.729357
N -2.035452 -0.160344 0.372263
N 1.358494 -0.493624 -0.903557
N 1.473894 0.616114 0.013172
C -0.862172 -1.005335 0.008541
C -0.706194 0.221371 0.928704
C -0.121234 -0.570946 -1.292197
C 0.077142 1.242641 0.054529
C -0.425333 0.951069 -1.394125
C 1.986598 -1.735217 -0.524721
C 2.584563 1.487812 -0.292803
C -4.718040 -0.242024 0.558669
C -5.262889 1.016716 0.833507
C -5.317871 -1.079528 -0.387892
C 3.920752 -2.645483 0.725058
C 3.273038 3.821825 0.248646
C -6.408655 1.442172 0.155048
C -6.463577 -0.654199 -1.066462
C -7.006447 0.606766 -0.795290
C 4.699503 -2.882674 -0.557897
C 4.735677 -1.939575 1.802884
C 3.188280 -3.877649 1.229484
C 4.346434 3.349407 1.216650
C 2.414163 4.950536 0.812666
C 3.806260 4.116991 -1.144666
H -0.808481 -2.058231 0.293683
H -0.503413 0.215999 1.999876
H -0.261650 -1.204284 -2.179425
H 0.084995 2.285181 0.406469
H 0.142246 1.469982 -2.178760
H -1.490527 1.180296 -1.554118
H -4.800390 1.665722 1.585390
H -4.898454 -2.071410 -0.591771
H -6.835881 2.421044 0.368337
H -6.933203 -1.305038 -1.802949
H -7.900576 0.938823 -1.325079
H 4.075594 -3.366036 -1.326195
H 5.571540 -3.522228 -0.391505
H 5.054294 -1.935570 -0.989380
H 5.129013 -0.981846 1.431463
H 4.120301 -1.703146 2.680359
H 5.580142 -2.553001 2.130438
H 2.540217 -4.305561 0.446404
H 3.886376 -4.661217 1.541181
H 2.541555 -3.645278 2.083868
H 3.913205 2.999821 2.161842
H 5.060069 4.146161 1.449497
H 4.919592 2.506045 0.798304
H 3.007822 5.856713 0.972635
H 1.587981 5.201961 0.136213
H 1.963648 4.667298 1.772796
H 4.350729 3.249640 -1.554637
H 4.498883 4.964753 -1.140508
H 2.999150 4.345741 -1.849688


%chk=000293721-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000293721

0 1
S -3.388332 -0.652680 1.344800
O -3.275114 0.259922 2.690943
O -3.155589 -2.268208 1.406750
O 2.849302 -1.435786 0.441084
O 2.419774 2.772880 0.275970
O 1.624517 -2.736389 -1.117529
O 3.645424 1.099918 -0.877093
N -2.182268 0.121707 0.001841
N 1.287981 -0.449666 -0.926618
N 1.421637 0.774903 -0.145716
C -0.966020 -0.807338 -0.182099
C -0.822388 0.430204 0.676794
C -0.127326 -0.472472 -1.448816
C 0.045261 1.390738 -0.164888
C -0.385096 1.044850 -1.628472
C 1.917215 -1.647539 -0.549960
C 2.603851 1.522049 -0.324718
C -5.036080 -0.313190 0.503192
C -5.668325 0.911964 0.766420
C -5.565826 -1.316756 -0.322806
C 3.894837 -2.506229 0.756756
C 3.591303 3.748398 0.369176
C -6.916632 1.144954 0.144175
C -6.814770 -1.061948 -0.935502
C -7.482300 0.164384 -0.705368
C 4.685727 -2.814211 -0.529235
C 4.764629 -1.786340 1.800544
C 3.195515 -3.746093 1.347137
C 4.726396 3.102984 1.188367
C 2.955363 4.931147 1.119902
C 4.035416 4.150435 -1.051258
H -1.022316 -1.824008 0.218099
H -0.761001 0.412330 1.767541
H -0.221811 -1.137678 -2.312770
H 0.087473 2.440150 0.140994
H 0.274466 1.504197 -2.379560
H -1.442296 1.266295 -1.831648
H -5.212479 1.640264 1.444509
H -5.033427 -2.263246 -0.461425
H -7.444192 2.086899 0.325783
H -7.263286 -1.820505 -1.585017
H -8.450092 0.353110 -1.182263
H 4.050381 -3.319166 -1.274419
H 5.537892 -3.475443 -0.287775
H 5.078526 -1.879038 -0.965013
H 5.190315 -0.863165 1.371477
H 4.164199 -1.516743 2.686497
H 5.590372 -2.446432 2.121453
H 2.542271 -4.222410 0.599582
H 3.959676 -4.475952 1.672434
H 2.589856 -3.465992 2.227151
H 4.348123 2.761502 2.168103
H 5.519908 3.851692 1.366217
H 5.163203 2.245387 0.653278
H 3.704461 5.730276 1.262568
H 2.106474 5.344769 0.548386
H 2.588923 4.611599 2.110461
H 4.445871 3.286040 -1.595873
H 4.815104 4.931301 -0.984400
H 3.183627 4.564278 -1.620041


