%chk=000107894.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000107894

0 1
 S   -4.146300       2.294100      0.4015000    
 S   -5.098100     -0.4780000     -0.1947000    
 O   0.4541000     -0.3542000       1.706400    
 O   4.4599999E-02  -2.525700     -9.3800001E-02
 O    2.491300      -1.620400      0.1235000    
 O    2.494500       2.032200      0.2339000    
 O    4.541500      0.8130000      -1.262000    
 N   -2.379200      0.2670000     -0.2082000    
 C   0.5280000     -0.1843000      0.2921000    
 C  -0.4100000      -1.206600     -0.3874000    
 C    2.004900     -0.3081000     -0.1527000    
 C   -1.859800      -1.064000      0.1000000    
 C    2.934200      0.7110000      0.5422000    
 C    4.400600      0.5782000      0.1297000    
 C   -3.692800      0.5172000      0.4152000    
 C   -2.307400      0.5286000      -1.645600    
 H   0.1882000      0.8314000      6.3299999E-02
 H  -0.3357000      -1.116700      -1.474800    
 H    2.043900     -0.1615000      -1.238600    
 H   -1.909500      -1.267600       1.177100    
 H   -2.462100      -1.853300     -0.3695000    
 H    2.892500      0.5809000       1.630400    
 H    4.799300     -0.4140000      0.3595000    
 H    5.012200       1.322900      0.6501000    
 H  -0.3783000      4.5100000E-02   2.010200    
 H   4.2100001E-02  -2.631800      0.8730000    
 H   -3.604400      0.2806000       1.481100    
 H    2.408400      -1.769200       1.081000    
 H   -2.833200       1.447500      -1.924700    
 H   -2.738600     -0.2844000      -2.241200    
 H   -1.277700      0.6981000      -1.975800    
 H    1.698500       2.210200      0.7624000    
 H    4.170000       1.691900      -1.449700    
 H   -3.030000       2.736600      0.9983000    
 H   -5.125800      3.8500000E-02  -1.431800    


%chk=000107894-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000107894

0 1
S -3.313284 2.572592 0.613422
S -4.652112 -0.182488 0.733177
O 0.466563 0.926982 -0.098156
O 0.244235 -2.780587 -0.564584
O 1.486360 -1.649640 1.470885
O 2.126412 0.908324 1.986922
O 2.853270 1.836275 -1.004764
N -2.019958 0.270799 -0.351200
C 0.996539 -0.368705 -0.619302
C -0.164584 -1.409539 -0.860812
C 2.091642 -0.895848 0.343406
C -1.463727 -1.107307 -0.062227
C 2.972288 0.218695 0.976966
C 3.681960 1.198179 0.017671
C -2.957458 0.712358 0.689696
C -2.529460 0.406614 -1.747141
H 1.493394 -0.147454 -1.582157
H -0.398709 -1.430802 -1.939282
H 2.717230 -1.620429 -0.204097
H -1.238314 -1.165179 1.018435
H -2.213079 -1.886286 -0.303585
H 3.757844 -0.271702 1.581001
H 4.477677 0.655978 -0.528084
H 4.162333 1.968581 0.656806
H -0.577433 0.913914 -0.204931
H 0.589562 -2.774193 0.379397
H -2.525432 0.474195 1.673509
H 1.404690 -0.986761 2.216828
H -3.037642 1.379524 -1.850014
H -3.236965 -0.408661 -1.996981
H -1.686267 0.380144 -2.455375
H 1.335641 1.242363 1.459833
H 1.909054 1.909947 -0.676991
H -1.983147 2.973362 0.535867
H -5.209223 0.521954 -0.323737


