%chk=000064997.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000064997

0 1
 S  -0.2036000     -0.7836000      -1.778200    
 O   -1.438800       1.964600     -0.1562000    
 O    3.909400     -0.6901000       1.218200    
 O    1.576900       3.206800      0.7602000    
 N   0.8050000       1.332500     -0.4087000    
 N    2.714400       1.247300      0.9736000    
 C    1.978200     -0.7612000     -0.1777000    
 C   0.9715000     -3.0600000E-02 -0.7092000    
 C    2.292100      -2.216300     -0.4251000    
 C  -0.3125000       2.064000      -1.014500    
 C    2.959400     -8.5500002E-02  0.7254000    
 C    1.679200       2.015400      0.4563000    
 C    3.238800      -2.384600      -1.592900    
 C   -1.383400      -1.277600     -0.5419000    
 C   -2.571000       2.627000     -0.7032000    
 C  -0.9556000      -1.590100      0.7504000    
 C   -2.741200      -1.354000     -0.8598000    
 C   -3.735000       2.486200      0.2544000    
 C   -1.881000      -1.977100       1.719800    
 C   -3.666500      -1.740900      0.1096000    
 C   -3.236300      -2.052400       1.399400    
 H    2.718800      -2.681800      0.4715000    
 H    1.385800      -2.796900     -0.6256000    
 H  -0.5292000       1.754700      -2.041700    
 H  -2.9200001E-02   3.122300      -1.075300    
 H    3.363100       1.721400       1.595800    
 H    3.451300      -3.446500      -1.755600    
 H    4.193600      -1.879000      -1.413300    
 H    2.813600      -1.985000      -2.519600    
 H   -2.342700       3.687900     -0.8544000    
 H   -2.832200       2.177800      -1.667900    
 H   7.0200004E-02  -1.583700       1.085500    
 H   -3.096000      -1.112800      -1.858900    
 H   -4.625900       2.985200     -0.1373000    
 H   -3.969200       1.431400      0.4279000    
 H   -3.486700       2.920200       1.228500    
 H   -1.547000      -2.224800       2.723300    
 H   -4.722000      -1.798400     -0.1394000    
 H   -3.956800      -2.354300       2.153900    


%chk=000064997-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000064997

0 1
S -0.472898 -0.505802 -1.840059
O -1.226454 2.315855 0.085229
O 3.887057 -0.788330 1.083662
O 2.032757 3.417675 0.355660
N 0.912130 1.544871 -0.555466
N 2.916052 1.285908 0.683812
C 1.844592 -0.704036 -0.241503
C 0.876951 0.140441 -0.750159
C 1.908458 -2.197966 -0.479629
C -0.188986 2.423791 -0.946877
C 2.946394 -0.126882 0.554582
C 1.963479 2.172413 0.178714
C 2.770027 -2.554473 -1.720942
C -1.524241 -1.444379 -0.628821
C -2.344247 3.250901 -0.161544
C -1.896399 -0.886891 0.614552
C -1.987869 -2.717842 -1.031370
C -3.361563 3.053576 0.960870
C -2.732326 -1.635792 1.474253
C -2.843683 -3.444756 -0.171059
C -3.210534 -2.909708 1.085104
H 2.368210 -2.660151 0.412469
H 0.894495 -2.615018 -0.593145
H -0.590317 2.108600 -1.927516
H 0.210428 3.453819 -0.986173
H 3.681038 1.714103 1.214705
H 2.814249 -3.650630 -1.854077
H 3.803189 -2.185196 -1.597697
H 2.343497 -2.111868 -2.638987
H -1.954793 4.291703 -0.171939
H -2.796451 3.035307 -1.154147
H -1.557946 0.117702 0.889021
H -1.679757 -3.139155 -1.994335
H -4.218375 3.737887 0.824457
H -3.739638 2.016563 0.963095
H -2.899880 3.261831 1.941210
H -3.017050 -1.215182 2.445160
H -3.207511 -4.431033 -0.479135
H -3.862586 -3.480355 1.755324


