%chk=000211663.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000211663

0 1
S -0.246477 1.120611 -2.275452
S -2.694584 2.772991 -2.059703
N 0.258757 -0.219280 0.080593
N -1.461185 1.624958 0.019536
C 1.699106 -0.515538 0.396816
C -0.194567 1.110066 0.616021
C -2.611288 1.909007 0.948131
C 2.710217 0.484039 -0.219338
C -0.102866 -0.450347 -1.323038
C -2.978962 0.648281 1.760249
C 1.870864 -0.608400 1.916978
C -1.550163 1.867209 -1.312131
C -2.254800 3.081966 1.864114
C 4.111022 -0.056616 -0.154955
C -3.537912 -0.445685 0.891249
C 4.990212 0.364524 0.854486
C 4.548151 -0.990614 -1.107994
C -4.819731 -0.317211 0.333408
C -2.786167 -1.603247 0.642847
C 6.291103 -0.143484 0.907904
C 5.849349 -1.495536 -1.048843
C -5.340826 -1.338740 -0.464264
C -3.314650 -2.623834 -0.152602
C 6.723574 -1.074395 -0.041481
C -4.591501 -2.494939 -0.707008
H 1.898559 -1.534530 -0.038845
H 0.588848 1.901565 0.478240
H -0.350628 0.956371 1.715328
H -3.502446 2.198344 0.316644
H 2.645041 1.465104 0.291315
H 2.441077 0.702987 -1.274546
H 0.615323 -1.102859 -1.859302
H -1.100443 -0.956366 -1.340841
H -3.727350 0.928326 2.532339
H -2.102097 0.281530 2.333237
H 1.094459 -1.240803 2.366261
H 1.839468 0.366153 2.412040
H 2.842978 -1.059354 2.160636
H -3.126305 3.395740 2.452439
H -1.941465 3.958047 1.276733
H -1.449805 2.852556 2.568101
H 4.662041 1.089232 1.596145
H 3.876448 -1.318812 -1.898047
H -5.407766 0.580599 0.513126
H -1.783319 -1.703077 1.059860
H 6.970301 0.188680 1.691639
H 6.184297 -2.218221 -1.791586
H -6.332655 -1.232002 -0.901082
H -2.729004 -3.521995 -0.339843
H 7.736750 -1.467895 0.001474
H -5.000582 -3.288909 -1.327787


%chk=000211663-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000211663

0 1
S -0.219251 1.375173 -2.332837
S -2.704624 3.140142 -1.899580
N 0.289671 -0.120278 0.068866
N -1.486391 1.614796 0.051276
C 1.715378 -0.449076 0.392426
C -0.193779 1.178811 0.619715
C -2.625613 1.862929 0.993873
C 2.776863 0.504716 -0.270204
C -0.133834 -0.312724 -1.295751
C -3.018762 0.572410 1.768294
C 1.908919 -0.549802 1.919015
C -1.543354 2.071188 -1.259795
C -2.324087 3.053070 1.932794
C 4.185768 -0.061803 -0.181738
C -3.582712 -0.532982 0.885083
C 5.142686 0.473835 0.718346
C 4.567884 -1.164582 -0.991723
C -4.852768 -0.379178 0.269774
C -2.863445 -1.733506 0.660429
C 6.441876 -0.075685 0.811538
C 5.864214 -1.717885 -0.902279
C -5.389683 -1.395941 -0.549236
C -3.398622 -2.756093 -0.157359
C 6.807109 -1.176204 0.002691
C -4.664030 -2.591007 -0.765303
H 1.879679 -1.459607 -0.031800
H 0.551771 1.974172 0.394257
H -0.301471 1.101066 1.711969
H -3.465922 2.155127 0.337979
H 2.740818 1.497235 0.216854
H 2.495615 0.656334 -1.329906
H 0.536766 -0.987275 -1.849949
H -1.176802 -0.655121 -1.356495
H -3.777880 0.883762 2.513146
H -2.153632 0.194609 2.346218
H 1.153342 -1.224254 2.358775
H 1.830223 0.437656 2.411516
H 2.911532 -0.950051 2.144577
H -3.215275 3.287726 2.542526
H -2.069220 3.947543 1.338940
H -1.491372 2.836697 2.628365
H 4.869670 1.331825 1.345477
H 3.849556 -1.583264 -1.708905
H -5.427332 0.541595 0.433021
H -1.874253 -1.859566 1.117598
H 7.167998 0.356135 1.509712
H 6.141787 -2.564673 -1.540332
H -6.370994 -1.258550 -1.017171
H -2.829496 -3.679048 -0.317846
H 7.814288 -1.602057 0.071192
H -5.080408 -3.382148 -1.398832


