%chk=000201668.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000201668

0 1
S -4.053558 0.988345 1.645787
N 1.638669 -0.775512 0.166956
N -2.187819 -0.099940 -0.582303
C 4.527024 -0.234724 -0.245596
C 5.632787 0.320117 -1.186763
C 5.305949 -0.725501 1.003925
C 3.778995 -1.397558 -0.936712
C 3.503447 0.866457 0.100724
C 6.916553 -0.461751 -0.863033
C 6.723076 -1.091876 0.530518
C 2.589790 -1.902595 -0.106746
C 2.324906 0.324426 0.923076
C 0.432799 -1.258253 0.920100
C -0.552373 -1.936190 -0.047081
C -1.091106 -0.965919 -1.109505
C -1.843035 1.151082 0.001846
C -3.493461 -0.659120 -0.496967
C -2.668459 1.793011 0.945856
C -4.456988 -0.189304 0.418179
C -0.663006 1.816743 -0.407356
C -3.873952 -1.688724 -1.389489
C -2.373894 3.071147 1.420981
C -5.757753 -0.690598 0.427170
C -0.361453 3.083339 0.085285
C -5.169607 -2.201593 -1.362729
C -1.215387 3.722558 0.991959
C -6.118405 -1.706616 -0.462277
H 5.787663 1.397591 -1.004864
H 5.355608 0.227629 -2.247603
H 4.805753 -1.580015 1.485307
H 5.350866 0.071376 1.765655
H 4.477477 -2.231277 -1.132515
H 3.412430 -1.058554 -1.925434
H 3.116482 1.308589 -0.839112
H 3.989353 1.690719 0.652973
H 7.798105 0.199419 -0.883627
H 7.098579 -1.243486 -1.619982
H 6.848930 -2.186594 0.482072
H 7.481786 -0.725313 1.241198
H 2.956166 -2.389786 0.823580
H 2.040384 -2.678880 -0.682531
H 1.582946 1.138929 1.084564
H 2.677595 0.002076 1.926058
H 0.685409 -1.957415 1.745529
H -0.071179 -0.385076 1.394519
H -0.057678 -2.785699 -0.558469
H -1.388204 -2.374375 0.534443
H -1.469657 -1.530765 -1.992269
H -0.257001 -0.321361 -1.489535
H 0.023786 1.326631 -1.104597
H -3.156484 -2.077984 -2.111602
H -3.041733 3.561088 2.132150
H -6.494634 -0.297931 1.130756
H 0.549278 3.583147 -0.244871
H -5.445382 -2.995016 -2.057598
H -0.978943 4.716923 1.360530
H -7.128635 -2.106842 -0.453631


%chk=000201668-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000201668

0 1
S -3.022200 1.056966 2.006559
N 1.534127 -1.122992 0.154749
N -1.921565 -0.057117 -0.620677
C 4.378501 -0.207109 0.207007
C 5.466927 0.753508 -0.353469
C 5.214285 -1.056226 1.216929
C 3.782817 -1.093558 -0.927617
C 3.212679 0.570566 0.869924
C 6.748151 -0.111273 -0.511873
C 6.606396 -1.261855 0.543974
C 2.600621 -1.959533 -0.446596
C 2.053238 -0.344773 1.308827
C 0.303292 -1.887393 0.474143
C -0.559672 -2.167920 -0.778061
C -1.001209 -0.855567 -1.466401
C -1.693945 1.345282 -0.459324
C -3.184702 -0.612401 -0.252455
C -2.193279 2.028756 0.685036
C -3.866426 -0.150724 0.908612
C -0.988403 2.107718 -1.430495
C -3.809643 -1.626948 -1.029000
C -2.003719 3.414013 0.854188
C -5.131460 -0.655453 1.266274
C -0.761615 3.488215 -1.242390
C -5.060074 -2.161557 -0.650408
C -1.268066 4.151111 -0.102485
C -5.731570 -1.677392 0.494161
H 5.641965 1.562113 0.384951
H 5.154499 1.235601 -1.298877
H 4.733678 -2.014745 1.483897
H 5.326980 -0.480120 2.157069
H 4.562523 -1.752152 -1.358276
H 3.420550 -0.433035 -1.740388
H 2.811134 1.309982 0.148182
H 3.589848 1.133328 1.747484
H 7.665508 0.484278 -0.356591
H 6.808503 -0.530430 -1.533112
H 6.663819 -2.249860 0.051002
H 7.418494 -1.234048 1.292662
H 2.964223 -2.729264 0.284963
H 2.180196 -2.513748 -1.306220
H 1.225183 0.268123 1.710750
H 2.397577 -1.020211 2.135422
H 0.536248 -2.855141 0.985435
H -0.299142 -1.284897 1.179837
H 0.010444 -2.764470 -1.517268
H -1.432920 -2.778353 -0.482227
H -1.437222 -1.059689 -2.466974
H -0.082227 -0.263476 -1.605090
H -0.624579 1.624934 -2.341960
H -3.320037 -1.995371 -1.935039
H -2.417261 3.908546 1.739639
H -5.634875 -0.261755 2.155687
H -0.202893 4.047701 -2.000770
H -5.513201 -2.950087 -1.261371
H -1.102472 5.223793 0.040086
H -6.705222 -2.084691 0.784863


