%chk=000151286.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000151286

0 1
 S    2.385000       4.084200      -1.319100    
 O  -0.2973000     -0.4977000      -1.720200    
 O  -0.8567000       1.635500       1.593200    
 O  -0.4968000      -4.738100     -1.2600000E-02
 O   -4.776100      -1.639000       1.008400    
 O   -5.323300      0.2954000     -5.1899999E-02
 N  -0.3873000      -1.992400      5.3100001E-02
 N   -2.042700       1.116200     -0.3327000    
 N   -2.270100       4.187400       1.075900    
 N    1.163100      -4.700200      -1.600000    
 C   -2.115300     -0.3128000     -0.1287000    
 C   0.8227000      -2.713300     -0.2664000    
 C    1.837300      -2.680600      0.8822000    
 C   -1.495300       3.433300      9.2399999E-02
 C  -0.8509000     -0.9311000     -0.7117000    
 C   -3.360800     -0.9180000     -0.7708000    
 C  -0.1006000       4.044800     -0.1274000    
 C   -1.413700       1.980600      0.5529000    
 C    2.607000      -1.383800      0.9445000    
 C   0.4206000      -4.147500     -0.5777000    
 C   0.7596000       3.289100      -1.143900    
 C   -4.586400     -0.6738000      7.5099997E-02
 C    3.804700      -1.249200      0.2423000    
 C    2.120600     -0.3196000       1.704000    
 C    4.516100     -5.0799999E-02  0.2996000    
 C    2.832000      0.8788000       1.761200    
 C    4.029700       1.013200       1.059000    
 C    3.075400       2.989700      -2.580400    
 H   -2.128200     -0.4892000      0.9545000    
 H    1.268200      -2.276800      -1.168900    
 H    1.339100      -2.859700       1.844800    
 H    2.556300      -3.504100      0.7752000    
 H   -2.034800       3.491000     -0.8608000    
 H   -3.545400     -0.5106000      -1.772200    
 H   -3.253500      -2.002000     -0.9035000    
 H  -0.9316000      -2.307300      0.8513000    
 H   -2.413700       1.483400      -1.204000    
 H   0.4289000       4.074500      0.8353000    
 H  -0.2210000       5.086500     -0.4547000    
 H   0.9177000       2.255500     -0.8212000    
 H   0.2589000       3.277500      -2.117500    
 H   -3.225500       3.832600       1.103600    
 H   -2.336800       5.162000      0.7852000    
 H    4.192300      -2.070000     -0.3553000    
 H    1.189100     -0.4122000       2.255900    
 H    5.447600      5.4800000E-02 -0.2486000    
 H    2.451900       1.708300       2.350300    
 H   0.9860000      -5.647500      -1.917600    
 H    1.917000      -4.200600      -2.060400    
 H    4.582400       1.947100       1.102000    
 H   -5.570000      -1.466100       1.558000    
 H    4.093100       3.310500      -2.818100    
 H    2.475300       3.033400      -3.493000    
 H    3.112800       1.960500      -2.213700    


%chk=000151286-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000151286

0 1
S 1.852052 4.422643 -1.144070
O -0.920266 -2.401543 -1.726177
O -0.917539 0.571809 1.697934
O 1.189514 -4.714811 1.650064
O -5.734679 -0.776778 -1.490298
O -4.337217 1.039406 -1.815916
N -0.137023 -1.768357 0.378957
N -2.008317 0.621577 -0.354782
N -2.158589 3.083465 2.089683
N 0.006317 -4.698889 -0.355790
C -2.291845 -0.832227 -0.374759
C 1.093627 -2.594479 0.343733
C 2.135163 -2.066815 1.360242
C -1.535260 2.769132 0.790289
C -1.034118 -1.722430 -0.645253
C -3.358567 -1.195006 -1.443406
C -0.140419 3.437191 0.569775
C -1.451484 1.233952 0.737786
C 2.937304 -0.879780 0.848306
C 0.765459 -4.102541 0.626431
C 0.462634 3.172593 -0.821331
C -4.479046 -0.192069 -1.589470
C 4.031479 -1.093766 -0.031559
C 2.625245 0.449654 1.231183
C 4.794846 -0.009631 -0.518084
C 3.387082 1.538601 0.746800
C 4.473224 1.312388 -0.129769
C 2.609656 3.627274 -2.673704
H -2.659743 -1.102118 0.636280
H 1.502490 -2.539536 -0.684743
H 1.619868 -1.818273 2.306628
H 2.803333 -2.912397 1.599341
H -2.212151 3.118507 -0.015029
H -2.840020 -1.288978 -2.417443
H -3.774341 -2.186242 -1.212234
H -0.292771 -1.104997 1.165557
H -2.522566 1.191410 -1.043277
H 0.553052 3.093351 1.359704
H -0.285631 4.527383 0.711114
H 0.898194 2.160326 -0.886153
H -0.293190 3.297198 -1.619317
H -1.714784 2.586938 2.870136
H -2.284786 4.084607 2.263848
H 4.295570 -2.118771 -0.322726
H 1.782934 0.630625 1.911007
H 5.642488 -0.194635 -1.187976
H 3.136379 2.563921 1.040598
H -0.249386 -5.680250 -0.244019
H -0.328542 -4.146319 -1.158758
H 5.065483 2.158364 -0.497149
H -6.441704 -0.087813 -1.628122
H 3.431857 4.284460 -2.997866
H 1.860040 3.554140 -3.478042
H 3.005292 2.630339 -2.421274


