%chk=000231927.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000231927

0 1
S -3.797847 0.016916 -0.129596
N -0.714434 -0.022504 0.149202
C -1.362439 -1.034184 -0.749685
C -1.399970 1.307377 0.110197
C -2.712784 -1.437677 -0.168130
C -2.760626 1.187284 0.791093
C 0.723307 0.006721 0.033995
C 1.423009 -1.139167 0.475155
C 1.444710 1.127054 -0.418040
C 2.815542 -1.149392 0.465462
C 2.842445 1.101406 -0.413504
C 3.532893 -0.030858 0.022611
H -0.706974 -1.932508 -0.823145
H -1.481004 -0.648020 -1.788322
H -1.513076 1.701667 -0.924893
H -0.780078 2.043646 0.674908
H -3.207678 -2.207834 -0.788490
H -2.601870 -1.853621 0.852201
H -2.651868 0.849178 1.840495
H -3.289200 2.158496 0.809206
H 0.871106 -2.001335 0.844896
H 0.933505 2.014416 -0.779728
H 3.351143 -2.033192 0.810981
H 3.394982 1.974183 -0.760387
H 4.619505 -0.045552 0.020718


%chk=000231927-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000231927

0 1
S -3.955902 -0.013325 -0.091682
N -0.695156 0.017462 -0.018063
C -1.408397 -1.094698 -0.694574
C -1.416681 1.306142 -0.028275
C -2.738149 -1.458954 -0.017141
C -2.768266 1.223179 0.702783
C 0.728853 0.016084 -0.015658
C 1.445000 -1.181942 0.289958
C 1.490172 1.195027 -0.275943
C 2.852700 -1.196664 0.325077
C 2.901136 1.172132 -0.221543
C 3.598450 -0.019855 0.073708
H -0.752730 -1.980753 -0.707617
H -1.613951 -0.822983 -1.756146
H -1.581940 1.677202 -1.066958
H -0.800571 2.052007 0.505064
H -3.232608 -2.291188 -0.545485
H -2.583900 -1.731074 1.040881
H -2.618312 0.927127 1.755161
H -3.285290 2.196713 0.666648
H 0.896914 -2.097164 0.539324
H 0.990975 2.128917 -0.551768
H 3.370646 -2.131276 0.570476
H 3.456643 2.094154 -0.430037
H 4.692663 -0.033771 0.109011


