%chk=000080396.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000080396

0 1
 S  -0.1654000      -1.896800       1.094300    
 S    1.987300      -2.796000     -0.8216000    
 N    1.738900     -0.3562000      0.2029000    
 N   -1.198300     -0.7644000      0.4239000    
 C    1.819300       2.514100      4.8200000E-02
 C    1.897200       1.649100      -1.210400    
 C    1.042500       1.800700       1.155400    
 C    2.464300      0.2676000     -0.8975000    
 C    1.621100      0.4165000       1.433900    
 C   -3.370800      0.7989000     -0.8078000    
 C   -2.132800      0.3800000      -1.586900    
 C   -3.045200      0.8945000      0.6755000    
 C   -1.514700     -0.8937000      -1.009800    
 C   -2.401900     -0.3935000       1.189900    
 C    1.258400      -1.620900      0.1100000    
 H    2.833100       2.742200      0.3995000    
 H    1.337200       3.469400     -0.1872000    
 H   0.8944000       1.544500      -1.638600    
 H    2.519000       2.145000      -1.964000    
 H    1.068400       2.403700       2.069900    
 H  -5.7000001E-03   1.717800      0.8549000    
 H    2.424900     -0.3231000      -1.816500    
 H    3.515500      0.3477000     -0.5952000    
 H    2.647200      0.5351000       1.808400    
 H    1.084100     -6.7299999E-02   2.251200    
 H   -3.740700       1.762100      -1.175800    
 H   -4.170400      6.4400002E-02 -0.9633000    
 H   -2.396100      0.2194000      -2.638600    
 H   -1.398000       1.192900      -1.562300    
 H   -2.371600       1.742100      0.8499000    
 H   -3.962000       1.098300       1.240500    
 H   -2.197000      -1.740000      -1.166900    
 H  -0.6209000      -1.099700      -1.607600    
 H   -2.140000     -0.2324000       2.243700    
 H   -3.133300      -1.212300       1.164700    


%chk=000080396-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000080396

0 1
S -0.235443 -2.103414 0.115769
S 2.530068 -2.815568 -0.448832
N 1.891384 -0.186858 0.086180
N -1.484716 -0.683133 0.094500
C 2.590179 2.648372 -0.310286
C 3.398440 1.506426 -0.966654
C 1.132104 2.195774 -0.074203
C 3.311490 0.207184 -0.139391
C 1.062731 0.876346 0.723649
C -4.124364 0.562144 -0.078223
C -3.113235 0.614894 -1.246853
C -3.383404 0.392590 1.268227
C -2.183786 -0.620197 -1.224587
C -2.442124 -0.834746 1.231593
C 1.508164 -1.484138 -0.074928
H 3.056447 2.914830 0.661061
H 2.617866 3.556616 -0.940911
H 3.013169 1.310201 -1.985910
H 4.464404 1.785856 -1.067106
H 0.567751 2.968362 0.482436
H 0.619943 2.053483 -1.046133
H 3.820067 -0.631137 -0.641904
H 3.790949 0.348266 0.852324
H 1.457965 1.035787 1.750006
H 0.018319 0.523201 0.773776
H -4.746017 1.477204 -0.063205
H -4.814092 -0.293853 -0.228839
H -3.638832 0.651091 -2.220522
H -2.495662 1.530948 -1.166417
H -2.781192 1.297950 1.478275
H -4.103155 0.269664 2.100426
H -2.786207 -1.540331 -1.413855
H -1.419153 -0.550964 -2.017086
H -1.859567 -0.908334 2.166734
H -3.052490 -1.764818 1.137590


