%chk=000200689.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000200689

0 1
S 2.567224 -1.355621 -0.729507
O -3.845079 0.333572 -0.039201
N 2.559429 0.977142 0.464147
C 4.228315 -0.685537 -0.368188
C 3.995468 0.681852 0.301025
C 1.754091 0.083719 0.016058
C 0.297224 0.095539 0.015424
C -0.384713 1.320029 -0.169043
C -0.432920 -1.088398 0.200370
C -2.484382 0.152506 -0.001879
C -1.770670 1.358071 -0.182853
C -1.829543 -1.071047 0.193091
C -4.692694 -0.828889 0.134064
H 4.798153 -0.598667 -1.308643
H 4.769906 -1.385601 0.290114
H 4.468146 0.724169 1.309379
H 4.449607 1.506334 -0.295363
H 0.191651 2.240347 -0.297537
H 0.084506 -2.037836 0.360323
H -2.317243 2.287936 -0.325727
H -2.380964 -1.993757 0.337778
H -4.533898 -1.270761 1.121846
H -4.519093 -1.548968 -0.670633
H -5.695122 -0.386936 0.057253


%chk=000200689-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000200689

0 1
S 2.667409 -1.604318 -0.412730
O -3.898666 0.371730 0.170467
N 2.567733 1.076245 0.083292
C 4.293717 -0.737907 0.028686
C 4.006682 0.790484 -0.112119
C 1.793856 0.040362 -0.070382
C 0.323125 0.070100 -0.009858
C -0.345893 1.323347 0.126016
C -0.457472 -1.110156 -0.085519
C -2.512273 0.194434 0.104040
C -1.743723 1.387137 0.183333
C -1.866091 -1.060064 -0.030938
C -4.742840 -0.825019 0.097076
H 5.075217 -1.082892 -0.664693
H 4.553752 -1.017002 1.061997
H 4.599345 1.366446 0.620488
H 4.286985 1.148415 -1.123671
H 0.259903 2.232620 0.184738
H 0.037175 -2.083883 -0.178268
H -2.268815 2.341305 0.287492
H -2.439629 -1.989470 -0.089806
H -4.537145 -1.512516 0.940089
H -4.600029 -1.358308 -0.862514
H -5.774925 -0.451891 0.165083


