%chk=000234503.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000234503

0 1
S 1.917549 0.245467 -0.043850
F 8.121378 1.280412 -0.129439
N -3.068960 0.558416 -0.098844
N -1.036692 1.646503 -0.242111
N -2.182492 -1.785334 0.194005
N 0.262309 -1.850194 0.220431
C -2.077361 -0.427857 0.023708
C -0.810827 0.273807 -0.061748
C -4.495919 0.390072 -0.057875
C 0.355703 -0.514552 0.046952
C -2.362364 1.802388 -0.262317
C 3.088700 -1.140520 0.145678
C 4.428482 -0.492457 0.071957
C -5.293477 1.457103 0.394775
C -5.076548 -0.819411 -0.473680
C -6.681437 1.305465 0.412860
C -6.466640 -0.950405 -0.441191
C -0.993220 -2.426181 0.286043
C 5.052163 -0.028679 1.243749
C 5.070816 -0.341710 -1.169745
C -7.270513 0.107428 -0.004687
C 6.309165 0.576170 1.187254
C 6.328005 0.260030 -1.250312
C 6.918740 0.705465 -0.064164
H -2.890714 2.738383 -0.397990
H 2.924786 -1.899871 -0.646089
H 2.911005 -1.672389 1.102782
H -4.846346 2.386150 0.742173
H -4.453773 -1.654443 -0.806233
H -7.307488 2.127672 0.760562
H -6.924299 -1.887773 -0.759954
H -1.017000 -3.519834 0.426606
H 4.551610 -0.137595 2.206998
H 4.584773 -0.693712 -2.080839
H -8.353708 -0.002707 0.014170
H 6.795073 0.936927 2.092693
H 6.828321 0.378865 -2.210327


%chk=000234503-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000234503

0 1
S 1.891703 0.582735 0.042313
F 8.493851 0.872107 -0.232362
N -3.164959 0.611748 -0.073780
N -1.195030 1.814148 -0.163950
N -2.189974 -1.677584 0.168425
N 0.261149 -1.637268 0.231979
C -2.119096 -0.323798 0.036296
C -0.912073 0.445915 -0.011826
C -4.583895 0.372561 -0.058212
C 0.303694 -0.279344 0.093662
C -2.534155 1.870680 -0.196648
C 3.077808 -0.922041 0.223212
C 4.501692 -0.441208 0.103487
C -5.460180 1.406620 0.356401
C -5.100731 -0.883955 -0.459040
C -6.853896 1.191064 0.338994
C -6.496639 -1.089054 -0.459145
C -0.960328 -2.258609 0.261908
C 5.244349 -0.083733 1.259292
C 5.125456 -0.341490 -1.168322
C -7.379723 -0.055833 -0.070443
C 6.581808 0.357390 1.159191
C 6.461051 0.097150 -1.292756
C 7.158097 0.436320 -0.120078
H -3.104576 2.784395 -0.342023
H 2.789069 -1.631170 -0.566438
H 2.854520 -1.375483 1.200147
H -5.064760 2.363023 0.713775
H -4.415633 -1.686399 -0.741424
H -7.526448 1.993846 0.659432
H -6.893144 -2.062181 -0.767985
H -0.942348 -3.346382 0.371739
H 4.773233 -0.150972 2.246335
H 4.560853 -0.608353 -2.068665
H -8.462011 -0.221975 -0.077647
H 7.165861 0.632645 2.041949
H 6.954203 0.175584 -2.265792


