%chk=000100879.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000100879

0 1
 S   -2.551400      -2.593800      1.1600000E-02
 S    1.254700      0.2533000      -1.241100    
 O   -5.311900       1.063800      0.8098000    
 O   -2.081100       2.730800     -0.1585000    
 O   -2.260200       2.104900       2.033800    
 O    6.600000     -0.5012000      0.6786000    
 O    4.616800      -2.017500       1.468000    
 N   -3.397100     -7.7100001E-02  3.9999999E-02
 N   -5.902900      -1.181400      -1.450000    
 N    3.841100       1.043900     -0.9431000    
 N    5.146500      0.8194000     -0.5392000    
 N    3.079000     -0.9584000      0.1433000    
 C   -3.576800      -1.299300     -0.7224000    
 C   -5.052000      -1.252100     -0.2678000    
 C   -4.703400      0.1564000      0.2925000    
 C   -2.186200      0.4791000      0.3014000    
 C   -1.036400     -0.2134000      0.1212000    
 C  -0.9969000      -1.684700     -0.2857000    
 C   0.3480000      0.3592000      0.3107000    
 C   -2.182600       1.843200      0.8504000    
 C    2.903200      8.5100003E-02 -0.6061000    
 C    3.636500       2.210500      -1.782000    
 C    5.478200     -0.2371000      0.2695000    
 C    4.334900      -1.133400      0.6649000    
 H   -3.397100      -1.145000      -1.794500    
 H   -5.373600      -1.969000      0.4929000    
 H  -0.7618000      -1.783200      -1.350200    
 H  -0.2250000      -2.212300      0.2850000    
 H   -5.589400     -0.5227000      -2.162200    
 H   -6.867300     -0.9259000      -1.241100    
 H   0.8445000     -0.1966000       1.113100    
 H   0.3362000       1.407800      0.6206000    
 H   -2.074100       3.657200      0.1641000    
 H    5.841100       1.479400     -0.8720000    
 H    2.780000       2.796000      -1.431800    
 H    3.459900       1.907500      -2.819200    
 H    4.501900       2.882900      -1.773800    


%chk=000100879-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000100879

0 1
S -1.920273 -2.342251 -0.214736
S 1.389185 1.712758 -0.619981
O -5.421830 0.497015 1.089416
O -3.641134 2.724144 0.275392
O -1.966929 2.779115 1.881645
O 6.097558 -1.860033 -0.101413
O 3.703094 -2.289825 1.515870
N -3.306162 0.065015 -0.076175
N -5.715251 -1.655623 -1.515346
N 3.954905 0.903052 -1.086429
N 5.037810 -0.002664 -0.964632
N 2.727472 -0.443829 0.453683
C -3.241381 -1.170086 -0.891275
C -4.732672 -1.488548 -0.483762
C -4.662420 -0.145129 0.348364
C -2.219098 0.817813 0.406268
C -0.923216 0.333046 0.335309
C -0.570724 -1.010797 -0.284201
C 0.257974 1.114639 0.832979
C -2.559551 2.169030 0.959213
C 2.824075 0.587887 -0.369182
C 4.180999 2.057878 -1.969331
C 5.075804 -1.131643 -0.124713
C 3.786135 -1.345626 0.696062
H -3.069863 -0.989980 -1.963519
H -4.767491 -2.344239 0.213361
H -0.289515 -0.880005 -1.345702
H 0.303560 -1.440839 0.233937
H -5.998642 -0.833588 -2.046769
H -6.440964 -2.354125 -1.376035
H 0.942948 0.470890 1.415048
H -0.004368 2.024419 1.386034
H -3.913543 3.569933 0.723349
H 5.857504 0.196205 -1.545936
H 3.364344 2.781082 -1.826284
H 4.205274 1.748765 -3.030337
H 5.131684 2.552444 -1.699470


