%chk=000117940.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000117940

0 1
 S    7.151300     -0.2233000     -0.2159000    
 O    7.770900      -1.706300      5.7000000E-02
 O    7.566700      0.6603000      0.8539000    
 O    7.347700      0.1142000      -1.610800    
 O   -7.754600      0.8438000      4.2399999E-02
 O   -7.619100      -1.341500      0.2016000    
 N    4.588200      0.5045000      2.2900000E-02
 N  -0.9717000      0.2018000      0.6019000    
 N   -1.513200      8.6400002E-02 -0.5228000    
 N   -7.082900     -0.2160000      5.8699999E-02
 C    3.187900      0.4281000      0.1704000    
 C    5.433300     -0.6537000      2.9400000E-02
 C    2.420700       1.592900      0.1555000    
 C    2.569900     -0.8121000      0.3295000    
 C   0.4172000      0.2772000      0.4587000    
 C    1.035300       1.517500      0.2997000    
 C    1.184500     -0.8877000      0.4736000    
 C   -2.909100      1.0500000E-02 -0.3785000    
 C   -5.672900     -0.1393000     -8.9599997E-02
 C   -3.669200       1.175700     -0.3951000    
 C   -3.520600      -1.229200     -0.2184000    
 C   -5.054500       1.100600     -0.2503000    
 C   -4.905900      -1.304200     -7.3700003E-02
 H    5.173500      -1.348200     -0.7767000    
 H    5.380200      -1.163500      0.9974000    
 H    4.999000       1.425100     -8.4200002E-02
 H    2.890200       2.565400      3.2000002E-02
 H    3.129600      -1.742400      0.3478000    
 H   0.4461000       2.430700      0.2873000    
 H   0.7115000      -1.858500      0.5977000    
 H   -3.195100       2.145600     -0.5203000    
 H   -2.930100      -2.141500     -0.2053000    
 H   -5.620000       2.028800     -0.2674000    
 H   -5.353100      -2.287300      4.9400002E-02
 H    7.753000      -2.008100      0.9956000    


%chk=000117940-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000117940

0 1
S 6.756279 2.295534 -1.062555
O 6.694133 0.642611 0.686993
O 5.389420 1.861023 -1.829151
O 6.541254 3.559036 -0.069072
O -7.295614 1.806316 -1.232265
O -7.887554 0.100893 0.164232
N 4.848891 -1.193678 0.483932
N -0.620066 0.128667 -0.263409
N -1.531011 -0.576353 0.361697
N -7.007540 0.815820 -0.454848
C 3.453353 -0.917520 0.321850
C 5.329800 -2.401948 0.566047
C 3.089576 0.192984 -0.484522
C 2.453698 -1.697176 0.977993
C 0.724629 -0.284685 -0.016072
C 1.726253 0.493633 -0.656739
C 1.098490 -1.384676 0.812247
C -2.875993 -0.157457 0.099592
C -5.575780 0.477770 -0.261169
C -3.240399 0.929567 -0.748597
C -3.880177 -0.914852 0.761154
C -4.593781 1.249053 -0.930166
C -5.239455 -0.602414 0.584551
H 4.711849 -3.307528 0.450291
H 6.406541 -2.525458 0.734084
H 5.896558 -0.047331 0.595471
H 3.861790 0.792335 -0.985571
H 2.750867 -2.517586 1.641532
H 1.413324 1.335133 -1.282304
H 0.313059 -1.959208 1.311876
H -2.449347 1.498308 -1.244983
H -3.566425 -1.741210 1.405966
H -4.911470 2.075043 -1.571871
H -6.033755 -1.166733 1.079074
H 6.633305 1.188384 1.508108


