%chk=000030345.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000030345

0 1
 S   -4.715000     -9.6400000E-02  0.1313000    
 O    5.088400       2.249100      0.3471000    
 O    2.903500       3.001800     -0.3348000    
 O   -5.324500     -0.3541000      -1.165700    
 O   -5.289000     -0.6917000       1.330500    
 N    1.359400      -2.877500     -0.3790000    
 C    3.431600      -1.027000      0.2814000    
 C    2.143100     -0.5789000     -8.6099997E-02
 C    3.639400      -2.496800      0.5027000    
 C   -4.695200       1.663800      0.3856000    
 C    1.087200      -1.623000     -0.2152000    
 C    2.768400      -3.268900     -0.4793000    
 C   -3.029300     -0.5392000      3.1099999E-02
 C  -0.3438000      -1.246800     -0.1297000    
 C    4.473700     -0.1096000      0.4615000    
 C    1.898400      0.7782000     -0.3266000    
 C    4.200900       1.223400      0.2332000    
 C    2.952400       1.653000     -0.1543000    
 C   -2.381700     -0.5429000      -1.204500    
 C   -2.330100     -0.8901000       1.186100    
 C   -1.035100     -0.8980000      -1.285000    
 C  -0.9835000      -1.244900       1.105300    
 C   -6.114600       2.190700      0.5359000    
 C   -3.964400       2.353200     -0.7571000    
 C    4.259700       3.372500     -1.4300000E-02
 H    4.689400      -2.770700      0.3504000    
 H    3.368800      -2.741900       1.536600    
 H   -4.156300       1.841500       1.323500    
 H    3.110000      -3.123100      -1.511800    
 H    2.849000      -4.339900     -0.2640000    
 H    5.464400     -0.4335000      0.7613000    
 H   0.9274000       1.152200     -0.6286000    
 H   -2.904200     -0.2717000      -2.117400    
 H   -2.813000     -0.8875000       2.159200    
 H  -0.5393000     -0.8981000      -2.252000    
 H  -0.4465000      -1.515100       2.010600    
 H   -6.111200       3.268700      0.7286000    
 H   -6.706600       2.010800     -0.3680000    
 H   -6.630600       1.705300       1.370800    
 H   -4.042600       3.441700     -0.6568000    
 H   -4.376300       2.082400      -1.734700    
 H   -2.896100       2.120600     -0.7582000    
 H    4.702700       3.869700     -0.8848000    
 H    4.241700       4.079200      0.8233000    


%chk=000030345-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000030345

0 1
S -4.731857 0.064894 0.638570
O 5.543004 1.946086 1.045039
O 3.408489 3.004974 0.720760
O -5.643527 -1.002067 -0.211718
O -4.892594 0.241851 2.262451
N 1.356655 -2.568320 -1.042219
C 3.609649 -1.149494 0.144102
C 2.327630 -0.534173 -0.015927
C 3.698464 -2.645706 -0.109236
C -5.025341 1.878197 -0.163543
C 1.186944 -1.409716 -0.430962
C 2.755088 -3.018086 -1.273568
C -2.913061 -0.350816 0.298325
C -0.234529 -0.999884 -0.174234
C 4.745385 -0.384296 0.513169
C 2.177905 0.878725 0.150313
C 4.565760 0.990002 0.693013
C 3.310900 1.606455 0.504221
C -2.598712 -1.088756 -0.855915
C -1.956040 0.041892 1.246958
C -1.245518 -1.411183 -1.084814
C -0.604579 -0.283858 0.997270
C -6.317074 2.395094 0.466799
C -5.035762 1.704229 -1.678580
C 4.829451 3.255889 1.079035
H 4.735766 -2.950358 -0.335480
H 3.382558 -3.202866 0.797438
H -4.132918 2.409458 0.212720
H 3.117371 -2.557362 -2.219001
H 2.731588 -4.110243 -1.428770
H 5.726026 -0.849726 0.643013
H 1.219038 1.373983 -0.015092
H -3.395864 -1.423180 -1.528418
H -2.266015 0.549415 2.166535
H -0.947406 -2.004422 -1.954113
H 0.157104 -0.010904 1.734295
H -6.459700 3.455521 0.185583
H -7.190357 1.821550 0.109390
H -6.276354 2.326801 1.567729
H -5.284885 2.672129 -2.153155
H -5.802928 0.966567 -1.975016
H -4.057292 1.374990 -2.069954
H 5.279695 3.925832 0.327093
H 4.878445 3.661384 2.103994


