%chk=000182817.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000182817

0 1
S -3.816803 -2.680413 1.232319
O -7.962956 2.688495 0.479700
N 1.916578 -1.124995 0.651629
N 3.819687 2.590507 1.476506
N -7.385202 1.361063 -1.318265
C 3.895236 0.315540 0.470213
C 5.950397 -0.372335 -0.657313
C 4.503901 1.583139 0.775750
C 6.554425 0.888532 -0.341721
C 2.519504 0.110763 0.931314
C 4.634150 -0.632814 -0.246494
C 5.822320 1.847627 0.368137
C 6.719652 -1.347229 -1.396334
C 1.887052 1.118356 1.630426
C 7.912969 1.135186 -0.772010
C 0.527750 -1.427472 0.806645
C 2.580884 2.348158 1.871290
C 7.997091 -1.076098 -1.784532
C 8.604683 0.188791 -1.465527
C 0.176959 -2.718752 1.256024
C -0.470836 -0.501240 0.457443
C -2.156275 -2.135524 1.025183
C -1.167660 -3.069377 1.360406
C -1.815308 -0.859073 0.577114
C -4.810328 -1.441519 0.481564
C -6.519176 0.430831 -0.668719
C -5.390852 -0.453392 1.281663
C -5.074794 -1.506155 -0.889369
C -6.247797 0.487073 0.711173
C -5.928140 -0.571327 -1.472793
C -8.065406 2.444713 -0.703052
C -8.908153 3.241643 -1.657964
H 4.189027 -1.595253 -0.502454
H 6.263498 2.816033 0.615282
H 2.522742 -1.904781 0.396382
H 6.248607 -2.300160 -1.632404
H 0.885006 1.003023 2.033061
H 8.359513 2.097526 -0.523516
H 2.065750 3.147713 2.421911
H 8.586341 -1.802771 -2.341424
H 9.628366 0.363844 -1.794469
H 0.945869 -3.437956 1.529930
H -0.202089 0.486876 0.082988
H -1.438064 -4.068908 1.707146
H -2.586555 -0.132966 0.311485
H -5.180364 -0.411470 2.353586
H -4.618354 -2.283656 -1.506190
H -6.706176 1.262630 1.336187
H -6.132833 -0.623232 -2.538891
H -7.516718 1.215000 -2.321849
H -8.317577 3.704882 -2.459761
H -9.406242 4.064999 -1.115708
H -9.704001 2.643425 -2.121698


%chk=000182817-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000182817

0 1
S -3.879860 -2.933175 1.170629
O -8.124664 2.678288 0.575272
N 1.921528 -1.047248 0.772511
N 3.874597 2.737921 1.378447
N -7.372718 1.428964 -1.266800
C 3.886726 0.395309 0.459480
C 5.952869 -0.380651 -0.663285
C 4.526580 1.680900 0.734644
C 6.600974 0.888519 -0.355606
C 2.516277 0.208706 0.934806
C 4.610841 -0.589839 -0.250484
C 5.864669 1.886989 0.327178
C 6.695338 -1.382421 -1.383448
C 1.887496 1.293428 1.567642
C 7.965785 1.090313 -0.772048
C 0.551681 -1.409170 0.880602
C 2.603811 2.516359 1.754943
C 8.012642 -1.152817 -1.771002
C 8.655268 0.096413 -1.460228
C 0.233361 -2.737742 1.275023
C -0.510158 -0.528143 0.543729
C -2.158081 -2.280529 1.016342
C -1.103939 -3.172911 1.332954
C -1.850373 -0.959074 0.621957
C -4.888621 -1.574249 0.445304
C -6.552067 0.446638 -0.647743
C -5.523244 -0.635484 1.289634
C -5.090492 -1.505755 -0.953459
C -6.353855 0.374365 0.758284
C -5.912745 -0.500532 -1.496168
C -8.103136 2.466210 -0.670518
C -8.878275 3.322744 -1.671809
H 4.140100 -1.539128 -0.538040
H 6.313773 2.859198 0.555899
H 2.564342 -1.828483 0.634204
H 6.206622 -2.335411 -1.620358
H 0.877889 1.205263 1.973878
H 8.450823 2.044723 -0.536461
H 2.101116 3.348383 2.264089
H 8.569756 -1.923039 -2.315554
H 9.692769 0.259150 -1.772085
H 1.037833 -3.433462 1.544179
H -0.295707 0.484518 0.191387
H -1.324146 -4.203245 1.633588
H -2.652274 -0.261483 0.360366
H -5.368133 -0.693862 2.371687
H -4.606715 -2.236183 -1.609263
H -6.846267 1.099682 1.407626
H -6.063527 -0.455022 -2.582521
H -7.437084 1.365589 -2.285989
H -8.202063 3.792139 -2.410339
H -9.403459 4.115450 -1.120535
H -9.624566 2.720396 -2.222536


