%chk=000237048.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000237048

0 1
S -1.519306 -1.998548 0.742570
N -0.594256 0.953637 0.481985
C 0.394779 -0.093737 0.300498
C 1.741411 0.322187 -0.017032
C 0.102872 -1.439405 0.383072
C -1.954210 0.627761 0.091158
C 2.739272 -0.676606 -0.172288
C -2.485563 -0.671042 0.128265
C 1.097336 -2.436412 0.198798
C 2.391132 -2.061620 -0.054808
C -0.540054 1.538676 1.861423
C 2.103579 1.694222 -0.197839
C -2.755248 1.683981 -0.379759
C 4.084320 -0.281956 -0.459866
C -3.789039 -0.930400 -0.294976
C 3.400393 2.044934 -0.481570
C 4.406265 1.044480 -0.605584
C -4.064096 1.426672 -0.792239
C -4.582987 0.127096 -0.748989
H 0.820150 -3.489870 0.266918
H 3.173094 -2.808695 -0.182742
H -0.894696 0.849465 2.644693
H -1.160331 2.448855 1.887188
H 0.497384 1.826159 2.098238
H 1.322885 2.454714 -0.124856
H -2.346615 2.692713 -0.428752
H 4.843520 -1.055590 -0.563659
H -4.189073 -1.944928 -0.272575
H 3.677883 3.088131 -0.622106
H 5.428157 1.351439 -0.823910
H -4.684740 2.245402 -1.155379
H -5.603914 -0.062514 -1.075076


%chk=000237048-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000237048

0 1
S -1.564608 -2.210417 0.739964
N -0.666472 0.712180 0.735200
C 0.380535 -0.203752 0.401352
C 1.714184 0.257691 0.060775
C 0.118936 -1.585697 0.359272
C -1.986976 0.520099 0.228917
C 2.768022 -0.722225 -0.140907
C -2.523992 -0.787932 0.084098
C 1.140332 -2.539700 0.085814
C 2.454153 -2.118924 -0.113731
C -0.443602 1.824979 1.681251
C 2.042204 1.643732 -0.126242
C -2.803505 1.625586 -0.127122
C 4.101415 -0.273339 -0.420252
C -3.812721 -0.993286 -0.445511
C 3.345931 2.048178 -0.423833
C 4.394680 1.084682 -0.548705
C -4.113181 1.425038 -0.616786
C -4.618788 0.117415 -0.790755
H 0.881513 -3.603386 0.062909
H 3.251755 -2.851051 -0.280972
H -1.261735 1.836578 2.424967
H -0.405250 2.823035 1.200514
H 0.508578 1.665974 2.210490
H 1.251665 2.395454 -0.072168
H -2.409571 2.641936 -0.024797
H 4.888721 -1.025460 -0.550925
H -4.193721 -2.013660 -0.561153
H 3.565022 3.110852 -0.575589
H 5.416065 1.414023 -0.767656
H -4.730794 2.292226 -0.874818
H -5.628494 -0.041630 -1.182800


