%chk=000274362.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000274362

0 1
S -3.816097 -0.865852 -1.504947
O -3.880118 -0.148987 -2.750747
O -4.653090 -2.033209 -1.304869
N -2.222141 -1.569291 -1.337053
N -1.210622 -0.665921 -1.356356
C 2.145212 -0.132985 -0.500934
C 3.267001 0.835364 -0.477263
C 2.260761 -1.227806 0.490057
C 1.103701 -0.022953 -1.353929
C -3.960608 0.205524 -0.176180
C 4.195284 0.869446 -1.530094
C 1.252941 -1.430258 1.446798
C 3.411611 1.710523 0.610651
C 3.389653 -2.063795 0.481472
C 0.954237 1.078872 -2.349273
C -4.225373 1.958373 1.997301
C -3.329729 1.455408 -0.201151
C -4.721797 -0.167889 0.939690
C 0.034706 -1.053083 -1.365851
C -3.459658 2.329034 0.878557
C -4.856019 0.700456 2.020755
C 5.257323 1.776447 -1.493006
C 1.373109 -2.462897 2.380302
C 4.474881 2.616340 0.638998
C 3.501322 -3.095975 1.415561
C 5.398421 2.651439 -0.410974
C 2.494513 -3.298135 2.365723
C -4.356201 2.883839 3.159409
H 4.084469 0.188659 -2.371748
H 0.379666 -0.779452 1.458904
H 2.695752 1.676797 1.430125
H 4.177548 -1.900659 -0.252610
H -0.031648 1.562387 -2.256001
H 1.714814 1.864270 -2.243403
H 1.017163 0.692579 -3.377250
H -2.729728 1.750725 -1.070033
H -5.218445 -1.146178 0.960452
H 0.395026 -2.091642 -1.371853
H -2.965242 3.298441 0.852358
H -5.449925 0.404922 2.883614
H -2.056715 -2.583783 -1.404754
H 5.977294 1.801099 -2.309249
H 0.590624 -2.616305 3.121368
H 4.585508 3.295204 1.482865
H 4.376536 -3.743501 1.405144
H 6.226093 3.356762 -0.385089
H 2.585413 -4.101915 3.092971
H -3.565376 2.689664 3.901636
H -4.270024 3.940754 2.869926
H -5.317925 2.773244 3.680180


%chk=000274362-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000274362

0 1
S -3.664414 -0.809141 -1.357839
O -3.242744 -0.077045 -2.749141
O -4.546380 -2.178251 -1.328615
N -2.093314 -1.327273 -0.303384
N -1.085848 -0.409898 -0.406325
C 2.577688 -0.208143 -0.100486
C 3.752088 0.638438 -0.467610
C 2.887136 -1.487380 0.614434
C 1.264316 0.173206 -0.388171
C -4.437832 0.468430 -0.225796
C 3.846526 1.272636 -1.739744
C 2.176440 -1.866495 1.789840
C 4.837971 0.797218 0.441182
C 3.934730 -2.339079 0.160836
C 0.863228 1.568643 -0.834274
C -5.629300 2.372017 1.441393
C -4.173531 1.823616 -0.474668
C -5.272504 0.014156 0.807155
C 0.179192 -0.798251 -0.283461
C -4.783391 2.773841 0.373877
C -5.869909 0.985559 1.638967
C 4.973138 2.049574 -2.082556
C 2.485072 -3.063251 2.471997
C 5.959475 1.583133 0.103364
C 4.236719 -3.540304 0.836282
C 6.033317 2.214566 -1.160690
C 3.512276 -3.909858 1.994682
C -6.251623 3.402570 2.365442
H 3.043324 1.129250 -2.470390
H 1.401106 -1.199150 2.182916
H 4.790904 0.308878 1.420792
H 4.502162 -2.057719 -0.733203
H -0.027893 1.885298 -0.263708
H 1.673563 2.297673 -0.683611
H 0.561575 1.584948 -1.898337
H -3.531808 2.119216 -1.310337
H -5.461803 -1.055776 0.939367
H 0.438930 -1.859186 -0.121101
H -4.599401 3.840704 0.203311
H -6.532451 0.662428 2.450011
H -1.906685 -2.322191 -0.578063
H 5.027886 2.518698 -3.071331
H 1.931233 -3.329399 3.379295
H 6.776166 1.702262 0.824218
H 5.036536 -4.188111 0.460330
H 6.907451 2.819552 -1.426167
H 3.751984 -4.839616 2.522521
H -5.596496 3.592574 3.237693
H -6.404371 4.368211 1.853309
H -7.226333 3.062324 2.755994


