%chk=000211949.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000211949

0 1
S -3.940915 -1.597081 -0.111396
S 3.940143 1.597428 -0.109373
O -4.986390 -2.410945 0.475030
O -3.217903 -2.036877 -1.280277
O 4.986324 2.408879 0.479134
O 3.215906 2.041906 -1.275722
N 0.001763 -0.007710 3.962153
N -4.766333 -0.126444 -0.470409
N 4.765034 0.128150 -0.475092
C -0.672831 -0.276513 1.757519
C 0.674027 0.269631 1.757865
C -1.060745 -0.437644 3.136295
C 1.063398 0.425422 3.136843
C -1.562258 -0.636161 0.749968
C 1.562390 0.633178 0.750774
C -2.814843 -1.140893 1.112354
C 2.815358 1.136506 1.113788
C -2.312702 -0.951382 3.497164
C 2.315737 0.937761 3.498376
C -3.178127 -1.299502 2.463340
C 3.180069 1.289884 2.464993
C -4.248488 0.962559 -1.220663
C 4.246289 -0.957823 -1.229109
C -3.109324 0.820533 -2.035597
C 3.106276 -0.812463 -2.042266
C -4.895641 2.214437 -1.118881
C 4.893429 -2.210154 -1.132975
C -2.610780 1.934510 -2.712805
C 2.606908 -1.923701 -2.723355
C -4.381251 3.310289 -1.810225
C 4.378201 -3.303210 -1.828111
C -3.234143 3.180869 -2.600610
C 3.230269 -3.170553 -2.616761
H 0.002293 -0.009654 4.966910
H -1.276476 -0.528366 -0.302427
H 1.275494 0.529456 -0.301726
H -2.598381 -1.077505 4.537202
H 2.602517 1.059855 4.538591
H -4.164377 -1.716738 2.708935
H 4.166580 1.706167 2.711159
H -5.746278 -0.029659 -0.172656
H 5.745284 0.030091 -0.178761
H -2.641976 -0.155490 -2.191316
H 2.638858 0.164213 -2.193622
H -5.784939 2.328005 -0.506133
H 5.783364 -2.326232 -0.521625
H -1.727167 1.825659 -3.343271
H 1.722638 -1.812272 -3.352448
H -4.878442 4.277155 -1.731144
H 4.875382 -4.270428 -1.753390
H -2.834625 4.041595 -3.130205
H 2.830107 -4.029137 -3.149339


%chk=000211949-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000211949

0 1
S -3.962458 -1.858595 -0.371017
S 3.957622 1.859857 -0.368635
O -5.055372 -2.836845 0.330186
O -3.082447 -2.283573 -1.665489
O 5.050316 2.836941 0.334447
O 3.076205 2.287630 -1.661165
N -0.000605 -0.005904 3.769932
N -5.018005 -0.313280 -0.938484
N 5.013510 0.319203 -0.940640
C -0.661881 -0.310062 1.584389
C 0.658978 0.304647 1.584777
C -1.042460 -0.485156 2.962753
C 1.040706 0.475526 2.963352
C -1.535763 -0.730889 0.559113
C 1.531982 0.728672 0.560067
C -2.755822 -1.291738 0.965495
C 2.752326 1.288350 0.967175
C -2.274483 -1.063748 3.339618
C 2.273015 1.053026 3.340967
C -3.150671 -1.467193 2.312678
C 3.148304 1.459725 2.314546
C -4.274867 0.846741 -1.293466
C 4.273357 -0.841262 -1.300571
C -3.484366 0.813762 -2.477884
C 3.481283 -0.805097 -2.483818
C -4.338023 2.041692 -0.520453
C 4.341359 -2.039577 -0.533327
C -2.768862 1.962233 -2.871410
C 2.769061 -1.954037 -2.881959
C -3.649601 3.196470 -0.947797
C 3.656233 -3.194578 -0.965436
C -2.852716 3.158559 -2.116430
C 2.857828 -3.153702 -2.132893
H -0.000225 -0.007362 4.787906
H -1.278806 -0.653821 -0.501722
H 1.274195 0.654817 -0.500793
H -2.548034 -1.205760 4.389670
H 2.547387 1.191882 4.391227
H -4.110036 -1.944873 2.537014
H 4.107740 1.936936 2.539561
H -5.677621 -0.180049 -0.149434
H 5.675592 0.184533 -0.154083
H -3.455011 -0.106724 -3.068343
H 3.448239 0.118096 -3.069811
H -4.935546 2.063977 0.400166
H 4.940022 -2.064328 0.386474
H -2.158201 1.932368 -3.780326
H 2.157198 -1.921794 -3.789987
H -3.720587 4.119221 -0.361552
H 3.731003 -4.119893 -0.383715
H -2.304273 4.050527 -2.437038
H 2.311984 -4.045951 -2.457131


