%chk=000230897.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000230897

0 1
S 4.298337 0.970162 -0.065600
N -0.677243 0.583716 -0.078982
N 1.184557 1.945116 -0.199378
N 0.526472 -1.623400 0.133375
N 2.957636 -1.351227 0.142887
C 0.442390 -0.259915 0.005937
C -2.066714 0.219289 -0.035122
C 1.598912 0.611605 -0.064554
C -0.150125 1.917550 -0.206543
C 2.865285 -0.010834 0.011678
C -2.999960 1.154469 0.448902
C -2.479199 -1.047997 -0.478983
C -4.353615 0.812554 0.470175
C -3.837615 -1.370105 -0.442815
C 1.794294 -2.095964 0.197645
C -4.775802 -0.444429 0.024909
C 5.655558 -0.204205 0.068190
H -0.803310 2.775519 -0.308837
H -2.682107 2.127339 0.817841
H -1.750232 -1.780763 -0.836155
H -5.083786 1.531723 0.842172
H -4.164520 -2.353362 -0.783367
H 1.922650 -3.186197 0.303291
H -5.833210 -0.703292 0.046446
H 5.645050 -0.939083 -0.748709
H 5.619164 -0.768529 1.010430
H 6.596133 0.359262 0.027467


%chk=000230897-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000230897

0 1
S 4.368188 1.057027 -0.046687
N -0.667202 0.602755 -0.061728
N 1.176259 1.990695 -0.160670
N 0.528357 -1.587383 0.101593
N 2.965065 -1.312500 0.115534
C 0.466181 -0.230315 0.002783
C -2.055760 0.227594 -0.023504
C 1.592353 0.652813 -0.049987
C -0.162457 1.918949 -0.164743
C 2.873675 0.044438 0.011886
C -3.020200 1.166670 0.420759
C -2.456741 -1.068479 -0.431234
C -4.386338 0.816298 0.427256
C -3.825719 -1.408827 -0.407159
C 1.810056 -2.049571 0.155225
C -4.797051 -0.471256 0.012082
C 5.678212 -0.290653 0.065169
H -0.819831 2.777355 -0.275046
H -2.713570 2.153474 0.782460
H -1.702758 -1.797122 -0.737119
H -5.127039 1.546312 0.770789
H -4.131592 -2.412557 -0.721072
H 1.934435 -3.132874 0.237181
H -5.858044 -0.741799 0.023705
H 5.582232 -0.973623 -0.789776
H 5.556716 -0.850251 1.002516
H 6.641571 0.241835 0.042085


