%chk=000219869.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000219869

0 1
S -3.832286 -1.137928 -0.122910
N 1.145435 -0.702964 -0.104173
N 0.758982 -2.029467 -0.203426
N -0.093683 1.487160 0.064568
N -2.521480 1.188403 0.054351
C 0.009905 0.120692 -0.040468
C -1.134094 -0.763520 -0.104099
C 2.543811 -0.348770 -0.070443
C -2.398080 -0.147183 -0.050969
C -0.584624 -2.088712 -0.206109
C -1.364149 1.965829 0.109311
C 2.931158 0.995035 -0.199878
C 3.506655 -1.364008 0.090792
C -5.216957 0.050957 -0.022636
C -1.557771 3.438417 0.224446
C 4.290601 1.315429 -0.162492
C 4.858027 -1.020006 0.122163
C 5.254626 0.316237 -0.002765
C -6.476920 -0.781507 -0.082844
H -1.133621 -3.017625 -0.277096
H 2.191005 1.790738 -0.324248
H 3.201620 -2.408513 0.186599
H -5.141274 0.638150 0.913766
H -5.149229 0.778168 -0.855667
H -0.599877 3.978900 0.292050
H -2.108566 3.832416 -0.645396
H -2.152546 3.689677 1.118035
H 4.596210 2.357148 -0.260272
H 5.608038 -1.801091 0.245969
H 6.311096 0.575799 0.024306
H -6.560099 -1.355345 -1.016904
H -6.552105 -1.495238 0.749991
H -7.367810 -0.137976 -0.027852


%chk=000219869-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000219869

0 1
S -3.867330 -1.271011 -0.069768
N 1.167532 -0.706489 -0.045995
N 0.833368 -2.078759 -0.097044
N -0.088026 1.439318 0.034844
N -2.512539 1.119729 0.023268
C 0.015335 0.076808 -0.015811
C -1.097662 -0.830322 -0.048786
C 2.553683 -0.331207 -0.034464
C -2.387469 -0.228094 -0.028200
C -0.518316 -2.139785 -0.094936
C -1.369930 1.901231 0.053218
C 2.927860 1.035663 0.002967
C 3.538703 -1.349792 -0.062711
C -5.238942 0.049788 -0.026457
C -1.584027 3.391633 0.108663
C 4.298408 1.371455 0.011388
C 4.902151 -0.992697 -0.053576
C 5.291636 0.366640 -0.016717
C -6.598458 -0.657685 -0.079683
H -1.007142 -3.111491 -0.129115
H 2.154959 1.807211 0.025143
H 3.223732 -2.394951 -0.091660
H -5.094699 0.630314 0.897340
H -5.068440 0.714532 -0.886829
H -0.617202 3.913894 0.153219
H -2.144891 3.731248 -0.780649
H -2.190579 3.658817 0.992219
H 4.587783 2.427787 0.040039
H 5.662233 -1.781271 -0.075255
H 6.352838 0.637494 -0.010060
H -6.715520 -1.248248 -1.005290
H -6.742971 -1.331382 0.783151
H -7.404081 0.098923 -0.056754


