%chk=000190031.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000190031

0 1
S 0.240749 -3.128272 1.842246
O 3.588690 -0.851057 -0.760313
N 0.679844 -0.684218 0.898792
C 0.273418 0.550354 0.368223
C 2.128321 -0.941670 1.176112
C -2.020736 -0.260288 0.247445
C -1.048634 0.766738 0.048346
C -0.257292 -1.703686 1.136829
C 1.263972 1.641711 0.189735
C -1.619192 -1.459554 0.786011
C 2.768638 -1.668492 0.054035
C -3.431383 -0.008194 -0.119225
C 1.283581 2.699424 1.112530
C 2.135658 1.644596 -0.907714
C 2.796537 -2.960098 -0.401502
C -3.753216 0.450483 -1.406575
C -4.451277 -0.231155 0.819393
C 2.177561 3.757423 0.933014
C 3.024070 2.709577 -1.082247
C 3.667845 -2.981802 -1.551995
C 3.045672 3.764538 -0.164545
C -5.087456 0.682088 -1.749816
C -5.782937 0.008860 0.470910
C 4.123493 -1.703194 -1.731026
C -6.102616 0.464053 -0.812337
H 2.223506 -1.545279 2.123932
H 2.657090 0.024310 1.371476
H -1.362839 1.730877 -0.352238
H -2.329571 -2.276148 0.956441
H 0.602383 2.694973 1.963496
H 2.133177 0.808879 -1.611546
H 2.273320 -3.810911 0.005898
H -2.964199 0.615549 -2.139441
H -4.203554 -0.587855 1.819359
H 2.196851 4.578880 1.648395
H 3.702894 2.713465 -1.934414
H 3.895231 -3.854042 -2.134510
H 3.740125 4.592678 -0.303152
H -5.336892 1.032261 -2.750477
H -6.573141 -0.162139 1.200951
H 4.777598 -1.206309 -2.410676
H -7.141590 0.647044 -1.082219


%chk=000190031-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000190031

0 1
S 0.252882 -3.183200 1.825430
O 3.091928 -1.300826 -1.285268
N 0.739422 -0.668646 0.753126
C 0.327121 0.593695 0.297024
C 2.186231 -0.960513 1.021483
C -2.009033 -0.196503 0.214940
C -1.020212 0.830073 0.036477
C -0.203306 -1.697495 1.057324
C 1.292127 1.734112 0.156808
C -1.572214 -1.424472 0.720439
C 2.836704 -1.846987 0.001582
C -3.438079 0.054795 -0.116154
C 1.080941 2.886588 0.962540
C 2.338378 1.748786 -0.803802
C 3.315251 -3.145553 0.040733
C -3.796469 0.972377 -1.142967
C -4.480698 -0.615960 0.582316
C 1.905527 4.024362 0.821031
C 3.156600 2.890783 -0.946090
C 3.897365 -3.437576 -1.252315
C 2.946491 4.030723 -0.135427
C -5.150018 1.206337 -1.465100
C -5.833627 -0.380574 0.262259
C 3.739078 -2.304899 -2.030017
C -6.175877 0.531361 -0.763883
H 2.229672 -1.491132 1.988612
H 2.711983 0.003461 1.103894
H -1.305279 1.829930 -0.296891
H -2.266494 -2.252188 0.881320
H 0.276022 2.881154 1.706122
H 2.507571 0.872187 -1.435205
H 3.219252 -3.818593 0.888980
H -3.012659 1.480818 -1.715695
H -4.231865 -1.302610 1.398860
H 1.735113 4.900691 1.455957
H 3.956399 2.889619 -1.694716
H 4.358889 -4.372331 -1.563985
H 3.585384 4.913538 -0.248649
H -5.404030 1.908376 -2.266962
H -6.621168 -0.901255 0.818080
H 3.995548 -2.042105 -3.052488
H -7.227155 0.714051 -1.012121


