%chk=000232037.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000232037

0 1
S 0.525026 -1.455195 0.618047
O 1.199987 -2.042179 1.755451
O 0.034231 -2.292744 -0.450511
N -0.802827 -0.625476 1.354342
C 1.478045 -0.147230 -0.087936
C 2.119981 0.711864 1.011307
C 2.551016 -0.752046 -1.008418
C 3.005011 1.810250 0.402335
C 3.426023 0.350405 -1.623085
C 4.068141 1.220018 -0.533758
C -1.879020 -0.007549 0.667343
C -2.766693 0.808094 1.405217
C -2.052287 -0.162027 -0.721744
C -3.796208 1.475198 0.743708
C -3.089115 0.519793 -1.360519
C -3.958392 1.344100 -0.639848
H 0.824703 0.518940 -0.711973
H 2.731836 0.074176 1.685726
H 1.339933 1.178546 1.644994
H 2.074663 -1.346823 -1.816029
H 3.197256 -1.454253 -0.441117
H 3.492691 2.385537 1.212234
H 2.377508 2.534474 -0.152320
H 2.818529 0.981599 -2.299891
H 4.211296 -0.106785 -2.254872
H 4.656614 2.033635 -0.997598
H 4.788980 0.616179 0.051353
H -0.910002 -0.690564 2.375772
H -2.651176 0.917699 2.479530
H -1.428880 -0.847404 -1.300615
H -4.480529 2.105305 1.312103
H -3.224254 0.398022 -2.435846
H -4.760788 1.870941 -1.148381


%chk=000232037-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000232037

0 1
S 0.330087 -0.810555 0.617929
O 0.844491 -1.494768 2.011643
O -0.366872 -1.716239 -0.543982
N -0.891442 0.716796 1.133325
C 1.821602 0.190884 -0.193811
C 2.563896 0.950878 0.905189
C 2.687110 -0.814116 -0.961970
C 3.782221 1.685742 0.275799
C 3.892427 -0.058187 -1.586148
C 4.692316 0.711081 -0.508871
C -2.210667 0.611085 0.609457
C -3.327796 0.319553 1.445058
C -2.421302 0.851957 -0.777164
C -4.631767 0.318860 0.909703
C -3.724408 0.819672 -1.309552
C -4.835494 0.561943 -0.469801
H 1.260598 0.862198 -0.868883
H 2.912927 0.235464 1.674386
H 1.890689 1.676609 1.396522
H 2.092731 -1.321774 -1.742099
H 3.062139 -1.589461 -0.265036
H 4.351430 2.187677 1.080609
H 3.420381 2.481822 -0.406385
H 3.526299 0.653374 -2.354402
H 4.541243 -0.786715 -2.107416
H 5.524275 1.268443 -0.979786
H 5.148213 -0.013738 0.196156
H -0.874476 0.596029 2.167216
H -3.166515 0.103553 2.508834
H -1.560841 1.069066 -1.418205
H -5.486557 0.111600 1.562745
H -3.877606 1.000764 -2.378980
H -5.848034 0.545005 -0.887079


