%chk=000234941.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000234941

0 1
S 2.869655 1.559904 -1.198224
N 2.179766 -0.295054 0.568413
N 0.364858 1.174281 -0.214064
N -0.615737 0.571773 0.539596
C -4.074839 -0.020600 0.497696
C -2.870833 0.348304 1.323302
C 4.125077 0.497149 -0.607015
C 3.572965 -0.426299 0.326638
C 1.660609 0.682683 -0.136909
C 5.473329 0.480194 -0.936736
C 4.399131 -1.381634 0.935957
C -5.278463 0.683764 0.641187
C -3.992239 -1.079477 -0.420171
C -1.833030 1.027135 0.467756
C 6.286334 -0.477300 -0.322320
C 5.752920 -1.393476 0.600503
C -6.391671 0.327555 -0.126418
C -5.106998 -1.429534 -1.184952
C -6.308719 -0.727460 -1.039692
H -3.141171 1.024899 2.163390
H -2.452972 -0.562642 1.815655
H 5.889502 1.188435 -1.650990
H 3.977798 -2.088217 1.650324
H -5.352011 1.505705 1.349963
H -3.056819 -1.627055 -0.533270
H -2.205329 1.853474 -0.150170
H 7.347917 -0.514872 -0.561118
H 6.412640 -2.128381 1.063115
H -7.326001 0.874536 -0.010611
H -5.040403 -2.252477 -1.895152
H 0.165659 1.943460 -0.863490
H -7.176325 -1.003370 -1.635292


%chk=000234941-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000234941

0 1
S 2.887806 1.655321 -1.253136
N 2.166362 -0.259617 0.546009
N 0.370750 1.209295 -0.157127
N -0.608498 0.613034 0.629447
C -4.094505 0.044954 0.529744
C -2.926559 0.519523 1.396986
C 4.135899 0.484499 -0.634414
C 3.542795 -0.433133 0.297821
C 1.671967 0.738733 -0.142888
C 5.499575 0.422265 -0.970637
C 4.351151 -1.427866 0.895850
C -5.389144 0.600660 0.679158
C -3.893932 -0.967761 -0.444651
C -1.814300 1.126569 0.573051
C 6.291115 -0.580393 -0.360734
C 5.719969 -1.494540 0.562388
C -6.464572 0.154005 -0.123887
C -4.965883 -1.417330 -1.246278
C -6.255940 -0.856861 -1.089360
H -3.293282 1.269269 2.125736
H -2.496283 -0.319087 1.974198
H 5.945093 1.124278 -1.682081
H 3.895972 -2.124368 1.605874
H -5.558465 1.382920 1.429756
H -2.895162 -1.404481 -0.567741
H -2.076398 1.988166 -0.075833
H 7.356007 -0.646964 -0.607758
H 6.350808 -2.262481 1.022813
H -7.460882 0.591839 0.005658
H -4.797858 -2.204102 -1.990534
H 0.148952 2.014673 -0.759258
H -7.087959 -1.205615 -1.711270


