%chk=000233669.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000233669

0 1
S -3.662791 1.649651 -0.582117
N -1.125903 1.441188 0.263116
N 1.607878 0.508400 0.038917
C -0.470164 1.279021 -1.076120
C -0.092314 1.810193 1.288385
C 0.584261 0.158121 -0.995150
C 0.959839 0.686361 1.375348
C -2.221233 2.436878 0.223272
C 2.851043 -0.184853 -0.002745
C -3.912780 0.121997 0.382347
C 3.324059 -0.737994 -1.216486
C 3.691484 -0.225015 1.134943
C -4.999800 -0.667751 -0.332938
C -5.294070 -1.984436 0.404973
C 4.596730 -1.300937 -1.281005
C 4.961069 -0.792773 1.048608
C 5.423178 -1.336937 -0.153489
C -6.382178 -2.790480 -0.299782
H 0.003657 2.216988 -1.439544
H -1.248436 0.991527 -1.819059
H -0.593493 1.913497 2.274467
H 0.410154 2.776847 1.065101
H 0.090254 -0.812828 -0.766536
H 1.080088 0.054278 -1.987360
H 1.731381 0.968286 2.127873
H 0.481228 -0.255986 1.724846
H -2.012677 3.357359 -0.362837
H -2.500800 2.746272 1.251735
H -4.199853 0.376037 1.417576
H -2.958656 -0.439183 0.437305
H 2.703501 -0.712972 -2.109914
H 3.358866 0.200434 2.079227
H -5.931767 -0.070616 -0.410002
H -4.698363 -0.888496 -1.377706
H -4.368957 -2.589217 0.478997
H -5.602275 -1.771567 1.447347
H 4.949883 -1.719408 -2.223443
H 5.599487 -0.812927 1.931749
H 6.412101 -1.780256 -0.211544
H -6.586874 -3.727432 0.230467
H -6.093372 -3.050405 -1.324772
H -7.324786 -2.233867 -0.357352


%chk=000233669-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000233669

0 1
S -3.800670 1.872946 -0.725559
N -1.125948 1.663002 0.130365
N 1.487274 0.449876 -0.010562
C -0.475328 1.445730 -1.179618
C -0.123301 1.910356 1.190893
C 0.491826 0.255704 -1.093386
C 0.858458 0.726803 1.294789
C -2.245208 2.599311 0.105268
C 2.719823 -0.253946 -0.055590
C -4.087699 0.406587 0.444437
C 3.418715 -0.422639 -1.291219
C 3.328730 -0.781704 1.123922
C -4.829994 -0.727020 -0.283131
C -5.124552 -1.925924 0.651835
C 4.661810 -1.082307 -1.337630
C 4.580813 -1.431230 1.065775
C 5.261172 -1.592506 -0.161039
C -5.853148 -3.076155 -0.077041
H 0.085457 2.356107 -1.508094
H -1.263819 1.231547 -1.923606
H -0.644492 2.030791 2.159024
H 0.463370 2.841829 0.994038
H -0.100550 -0.669349 -0.905566
H 1.004297 0.136423 -2.059807
H 1.641070 0.997298 2.024327
H 0.312182 -0.165943 1.681247
H -2.059028 3.528367 -0.479237
H -2.509134 2.877000 1.139987
H -4.661974 0.765432 1.317345
H -3.079772 0.086500 0.765846
H 3.006753 -0.009763 -2.217656
H 2.820638 -0.711928 2.090096
H -5.785516 -0.348688 -0.699503
H -4.221528 -1.066507 -1.144177
H -4.171919 -2.300564 1.078453
H -5.738101 -1.581144 1.508871
H 5.173183 -1.186507 -2.301913
H 5.018166 -1.826234 1.990464
H 6.229700 -2.101391 -0.202391
H -6.055101 -3.922484 0.604791
H -5.246717 -3.457057 -0.920082
H -6.821338 -2.733622 -0.488268


