%chk=000225629.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000225629

0 1
S 5.719941 0.592311 1.454053
N 2.227357 0.009972 -0.336966
C -2.457355 -1.810118 -0.441878
C -1.364664 -0.783465 -0.248958
C -1.933725 0.486757 0.087024
C -3.718291 -1.017400 -0.183908
C -3.393788 0.340792 0.127338
C 0.002039 -0.946101 -0.360257
C -1.118673 1.586996 0.306387
C -5.035597 -1.440012 -0.217453
C -4.396197 1.259489 0.401153
C 0.825159 0.183431 -0.124564
C 0.273070 1.431657 0.205191
C -6.046959 -0.501095 0.062061
C -5.733230 0.823326 0.365486
C 3.107362 0.370870 0.546439
C 4.519334 0.186683 0.248393
C 5.132591 -0.278012 -0.881962
C 6.572378 -0.307070 -0.778720
C 7.041161 0.132284 0.421755
H -2.352920 -2.659895 0.259185
H -2.441779 -2.238341 -1.462694
H 0.450500 -1.900576 -0.627520
H -1.543822 2.557405 0.554709
H -5.292788 -2.468987 -0.453102
H -4.159998 2.293581 0.637782
H 0.920448 2.291138 0.363385
H -7.087934 -0.819595 0.039164
H -6.530304 1.533637 0.578121
H 2.879731 0.809188 1.535563
H 4.603469 -0.596284 -1.774595
H 7.191036 -0.651559 -1.597614
H 8.062246 0.211393 0.754304


%chk=000225629-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000225629

0 1
S 5.777453 1.119552 1.271237
N 2.247519 -0.154975 -0.281740
C -2.526001 -1.823094 -0.570471
C -1.399141 -0.831532 -0.302499
C -1.944209 0.417712 0.132633
C -3.777247 -1.013297 -0.247044
C -3.412121 0.306532 0.165174
C -0.016558 -0.999554 -0.440705
C -1.085182 1.502273 0.423995
C -5.128803 -1.393707 -0.306091
C -4.405819 1.247435 0.519109
C 0.859436 0.077681 -0.113482
C 0.307577 1.330369 0.303786
C -6.125036 -0.449012 0.049569
C -5.764110 0.859621 0.458453
C 3.145397 0.472144 0.447443
C 4.564770 0.285376 0.205726
C 5.211761 -0.481312 -0.767277
C 6.643303 -0.424022 -0.691618
C 7.113863 0.386300 0.336293
H -2.441351 -2.725209 0.066805
H -2.522151 -2.177227 -1.620054
H 0.427233 -1.938899 -0.785891
H -1.492248 2.472926 0.728975
H -5.415121 -2.403762 -0.621423
H -4.134726 2.260888 0.835979
H 0.976343 2.178127 0.492484
H -7.183082 -0.731137 0.008650
H -6.547650 1.576203 0.729411
H 2.870432 1.143041 1.287487
H 4.646086 -1.056941 -1.502488
H 7.308000 -0.960483 -1.372832
H 8.141178 0.610383 0.617708


