%chk=000088230.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000088230

0 1
 S    2.712600      -2.258200     -0.3577000    
 O   0.3457000      0.5720000     -7.3500000E-02
 N   -3.325300      0.3406000     -0.3120000    
 N    1.239300      -1.502600     -0.3296000    
 C   -3.570700     -0.6627000      0.7334000    
 C   -4.380700       1.363300     -0.3250000    
 C   -4.918000      -1.356500      0.5269000    
 C   -5.754500      0.7357000     -0.5663000    
 C   -6.058100     -0.3465000      0.4635000    
 C   -2.013700      0.9612000     -0.1276000    
 C  -0.9083000     -7.6300003E-02 -0.2416000    
 C    1.462900     -0.2200000     -0.1270000    
 C    2.794000      0.2447000      1.8300001E-02
 C    3.659200     -0.8459000     -9.4099998E-02
 C    3.350100       1.523700      0.2400000    
 C    5.052600     -0.7098000      6.0000001E-03
 C    4.737400       1.670500      0.3410000    
 C    5.575500      0.5668000      0.2251000    
 H   -3.536500     -0.2084000       1.732300    
 H   -2.835500      -1.470800      0.7102000    
 H   -4.190100       2.084300      -1.129300    
 H   -4.393100       1.923900      0.6191000    
 H   -5.099100      -2.065500       1.342800    
 H   -4.894000      -1.938600     -0.4033000    
 H   -5.788200      0.3015000      -1.573600    
 H   -6.527900       1.511000     -0.5265000    
 H   -6.996300     -0.8530000      0.2120000    
 H   -6.194200      0.1143000       1.449500    
 H   -1.940400       1.481900      0.8367000    
 H   -1.844900       1.725800     -0.8973000    
 H  -0.9571000     -0.5595000      -1.226300    
 H  -0.9908000     -0.8267000      0.5496000    
 H    2.708300       2.395900      0.3328000    
 H    5.711000      -1.568200     -8.3600000E-02
 H    5.161900       2.656100      0.5115000    
 H    6.651400      0.6974000      0.3061000    


%chk=000088230-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000088230

0 1
S 3.077439 -2.345305 -1.024073
O 0.429258 0.368575 -0.011709
N -3.308924 0.279939 -0.076316
N 1.402063 -1.653111 -0.789505
C -3.766657 -0.513345 1.093768
C -4.308455 1.307753 -0.463614
C -5.102288 -1.223650 0.794773
C -5.659663 0.652618 -0.815843
C -6.179115 -0.201735 0.363236
C -1.941663 0.822639 0.095272
C -0.904810 -0.236288 -0.297320
C 1.527117 -0.413835 -0.296863
C 2.862760 0.124011 -0.054218
C 3.864013 -0.825721 -0.406609
C 3.231035 1.393137 0.455061
C 5.236193 -0.532088 -0.260274
C 4.598253 1.692627 0.603974
C 5.591077 0.736309 0.248369
H -3.894259 0.145996 1.994059
H -2.991793 -1.260637 1.345267
H -3.917343 1.861142 -1.337520
H -4.468604 2.052940 0.361161
H -5.430428 -1.781373 1.693039
H -4.940681 -1.958573 -0.017215
H -5.518814 0.008785 -1.705416
H -6.391797 1.439523 -1.081284
H -7.115848 -0.719807 0.083752
H -6.419463 0.462382 1.219740
H -1.741909 1.168176 1.138341
H -1.815453 1.699704 -0.565209
H -0.968507 -0.489696 -1.369656
H -1.002467 -1.168777 0.287319
H 2.452019 2.113990 0.722068
H 6.007455 -1.259973 -0.530619
H 4.904149 2.668189 0.995999
H 6.650610 0.986880 0.370564


