%chk=000152072.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000152072

0 1
 S    3.031700      -2.020400      0.1956000    
 S    1.083000       2.975900      0.7557000    
 S   -3.512900     -4.7400001E-02  0.4056000    
 O    3.329400      -2.520600       1.526500    
 O    2.827100      -2.945300     -0.9056000    
 O  -8.0499999E-02   3.576300       1.392700    
 O    2.402200       3.149700       1.347100    
 O   -3.816100      0.1444000       1.813200    
 O   -3.305600       1.099400     -0.4617000    
 N    4.219100     -0.8789000     -0.2507000    
 N    1.141800       3.481800     -0.8751000    
 N   -4.697000      -1.061700     -0.2879000    
 C    4.373600     -0.6974000      -1.699800    
 C    5.398800      -1.453600     -0.9104000    
 C   0.8820000       4.912500      -1.076300    
 C  -0.1544000       3.889300      -1.430000    
 C   -4.845900     -0.9165000      -1.741700    
 C   -5.875100     -0.3554000     -0.8080000    
 C    1.615400     -0.9860000      0.3097000    
 C   0.7834000       1.266000      0.5624000    
 C  -0.7836000     -0.5829000      0.3510000    
 C   0.3034000      -1.483600      0.2512000    
 C   -2.095500      -1.080500      0.2924000    
 C    1.852300      0.3802000      0.4644000    
 C  -0.5265000      0.7892000      0.5063000    
 C   4.6300001E-02  -2.855500      9.5899999E-02
 C   -2.332500      -2.446600      0.1378000    
 C   -1.263600      -3.332500      3.9799999E-02
 H    4.581700      0.3308000      -1.958500    
 H    3.687500      -1.228100      -2.339500    
 H    5.426300      -2.530700     -0.9626000    
 H    6.309100     -0.9465000     -0.6276000    
 H    1.487700       5.327900      -1.867700    
 H   0.7702000       5.498800     -0.1776000    
 H   -1.023600       3.770000     -0.8043000    
 H  -0.2592000       3.602300      -2.466400    
 H   -5.052300      -1.861300      -2.223700    
 H   -4.158400     -0.2565000      -2.244800    
 H   -5.903800      0.7065000     -0.6195000    
 H   -6.785800     -0.9130000     -0.6485000    
 H    2.853000      0.7881000      0.5450000    
 H   -1.322200       1.512500      0.6286000    
 H   0.8236000      -3.609300      6.0800001E-02
 H   -3.323500      -2.886600      0.1280000    
 H   -1.448700      -4.398100     -6.1299998E-02


%chk=000152072-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000152072

0 1
S 3.127141 -2.090358 -0.445485
S 1.056520 3.067235 0.507654
S -3.588340 -0.051259 0.069213
O 3.153849 -3.198324 0.755619
O 3.151867 -2.638529 -1.982034
O -0.227734 3.672205 1.318934
O 2.572152 3.230966 1.064024
O -3.703464 0.380502 1.637714
O -3.545244 1.140713 -1.050084
N 4.584838 -0.793903 -0.189509
N 1.045268 3.688597 -1.345964
N -5.061393 -1.298177 -0.363406
C 5.823077 -1.279760 -0.948791
C 5.737690 -1.479067 0.547960
C 0.939560 5.220689 -1.392912
C -0.286761 4.384245 -1.667424
C -6.192020 -0.502886 -1.022881
C -6.298019 -0.879072 0.437821
C 1.643319 -0.937007 -0.206232
C 0.749000 1.232641 0.192557
C -0.795905 -0.614432 -0.087943
C 0.331988 -1.515718 -0.279886
C -2.103184 -1.195018 -0.173243
C 1.889688 0.409993 0.015434
C -0.557752 0.778290 0.158977
C 0.090586 -2.908713 -0.521501
C -2.335287 -2.542437 -0.414765
C -1.210144 -3.405539 -0.587317
H 6.406216 -0.456906 -1.372666
H 5.699598 -2.151142 -1.603728
H 5.549053 -2.490227 0.931368
H 6.259065 -0.805614 1.234416
H 1.521804 5.658910 -2.208221
H 0.973793 5.767494 -0.443011
H -1.059269 4.365879 -0.887684
H -0.627337 4.192220 -2.688734
H -6.722538 -1.074919 -1.789916
H -5.978883 0.542621 -1.280158
H -6.158813 -0.095808 1.193953
H -6.906652 -1.730825 0.755914
H 2.904670 0.816491 0.072059
H -1.384997 1.475785 0.329631
H 0.934096 -3.591669 -0.655720
H -3.358380 -2.921846 -0.478154
H -1.380821 -4.469623 -0.775378


