%chk=000232546.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000232546

0 1
S -0.178633 1.476054 -0.817489
O 0.250988 2.717346 -1.433431
O -1.164885 0.660624 -1.516731
N -0.799794 1.919293 0.732602
N -1.673962 -2.890767 1.100665
C -1.331309 0.868451 1.630636
C -2.783012 0.410327 1.389798
C 1.172220 0.489916 -0.415213
C -1.542228 3.202164 0.766175
C -2.928229 -0.725735 0.370728
C 1.077080 -0.905446 -0.506132
C 2.374523 1.079660 -0.010181
C 3.376235 -1.116064 0.240111
C 2.168039 -1.705849 -0.177013
C 3.472729 0.283629 0.317956
C 4.540265 -1.980629 0.588193
C -2.238535 -1.932812 0.782016
H -0.638085 -0.003966 1.600837
H -1.257796 1.265791 2.673225
H -3.219803 0.093026 2.359010
H -3.401546 1.267913 1.053738
H -1.593197 3.578218 1.801913
H -2.569786 3.132456 0.373216
H -0.994875 3.961870 0.171327
H -2.533646 -0.390937 -0.638002
H -4.005922 -0.943723 0.192193
H 0.143045 -1.372189 -0.842525
H 2.460181 2.170412 0.045599
H 2.083171 -2.790462 -0.240279
H 4.404564 0.750277 0.631554
H 4.270489 -2.737705 1.340554
H 4.906467 -2.526693 -0.295367
H 5.391747 -1.416650 0.991814


%chk=000232546-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000232546

0 1
S -0.201839 1.423955 -0.896081
O 0.305205 2.825875 -1.551554
O -1.214881 0.459992 -1.752629
N -0.856770 1.944396 0.800737
N -1.841729 -2.829957 0.569564
C -1.369265 0.856453 1.673026
C -2.856702 0.421999 1.561830
C 1.281134 0.385179 -0.394011
C -1.632605 3.199627 0.717456
C -3.193871 -0.538801 0.385750
C 1.178064 -1.013296 -0.475903
C 2.451471 1.056461 -0.006456
C 3.523317 -1.148333 0.280516
C 2.314606 -1.773755 -0.127255
C 3.575321 0.270265 0.331524
C 4.737054 -1.986505 0.637215
C -2.465304 -1.814995 0.485510
H -0.706057 -0.021670 1.554408
H -1.196966 1.230375 2.703324
H -3.124643 -0.074507 2.514115
H -3.508230 1.311727 1.478535
H -1.610913 3.666788 1.720052
H -2.689278 3.076511 0.402177
H -1.123321 3.874841 0.009097
H -2.920650 -0.078794 -0.584758
H -4.279693 -0.750123 0.374922
H 0.251857 -1.492474 -0.807647
H 2.485991 2.150019 0.014600
H 2.256300 -2.867001 -0.173698
H 4.503801 0.766296 0.635681
H 4.488744 -2.744005 1.402904
H 5.114548 -2.532509 -0.247725
H 5.561803 -1.366233 1.026270


