%chk=000041375.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000041375

0 1
 S  -0.4276000       1.180900      0.7617000    
 O  -0.3717000      -3.371100     -0.1813000    
 O   -5.101900       1.279600      0.3102000    
 O   -3.522300      -2.989700     -0.2149000    
 O   -3.339900      -1.894700      -2.214400    
 O    3.097900     -0.6262000       2.448200    
 O    4.575000       1.540700      -1.252900    
 O    5.790600     -0.4573000     -0.9761000    
 O   -6.772400       1.725700      -1.209700    
 N   -1.322200      -1.292100      0.3976000    
 N    1.727200     -0.9953000      0.5791000    
 N    4.843100      -1.062700     -0.1388000    
 N   -7.046300       2.196100       1.024200    
 C  -0.6678000     -0.4877000       1.413200    
 C   0.5264000      -1.457200       1.274700    
 C  -0.4248000      -2.301400      0.3793000    
 C   -2.481300     -0.9380000     -0.2148000    
 C   -2.963400      0.3254000     -0.1398000    
 C   -2.215400       1.471100      0.5383000    
 C   -4.281400      0.7759000     -0.7226000    
 C   -3.154700      -1.970600      -1.016400    
 C    2.884000     -0.6298000       1.246400    
 C    3.988600     -0.1996000      0.3201000    
 C    4.065400       1.217500     -3.5399999E-02
 C   -6.343900       1.732700     -6.0600001E-02
 C    3.704800       2.351900      0.6539000    
 C    4.012700       3.442200     -0.1944000    
 C    4.539400       2.896300      -1.341800    
 C    6.682000      -1.462700      -1.432800    
 H   -1.169600     -0.5377000       2.386900    
 H   0.7707000      -1.978600       2.208800    
 H   -2.303200       2.381000     -6.4900003E-02
 H   -2.662900       1.673600       1.517400    
 H    1.728100     -0.9316000     -0.4365000    
 H   -4.096700       1.559500      -1.468000    
 H   -4.812600     -4.0300000E-02  -1.221600    
 H   -3.977100      -3.703700     -0.7105000    
 H    3.274100       2.395200       1.644200    
 H    3.868800       4.494100      5.4000001E-03
 H    4.916000       3.313900      -2.264000    
 H   -7.985100       2.567800      0.9264000    
 H   -6.648000       2.181100       1.957100    
 H    7.423700     -0.9968000      -2.086900    
 H    6.138700      -2.222600      -2.003000    
 H    7.200400      -1.924700     -0.5869000    


%chk=000041375-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000041375

0 1
S -1.057525 1.153680 -0.494385
O 0.105842 -2.921152 1.036560
O -5.764406 0.375633 -0.345305
O -2.709356 -3.218322 2.138167
O -4.099585 -3.409731 0.287040
O 2.927451 0.777116 2.373035
O 6.205724 1.511748 -0.366605
O 4.530313 0.456717 -2.122288
O -5.611692 1.178268 -2.565910
N -1.476901 -1.054222 1.130786
N 1.643496 -0.064165 0.622738
N 3.545457 0.288430 -1.100671
N -7.066995 2.124003 -0.983847
C -0.881342 0.297168 1.183829
C 0.519104 -0.375144 1.459980
C -0.219579 -1.737509 1.196410
C -2.748886 -1.384146 0.616081
C -3.459348 -0.474309 -0.142448
C -2.942952 0.913972 -0.488890
C -4.844902 -0.754385 -0.685301
C -3.262045 -2.747734 0.948057
C 2.805669 0.483356 1.145135
C 3.911713 0.697618 0.114662
C 5.157413 1.288538 0.569858
C -6.113670 1.232286 -1.414115
C 5.584990 1.722321 1.832290
C 6.922887 2.225757 1.685211
C 7.262451 2.082176 0.346520
C 3.970843 -0.054045 -3.392683
H -1.297281 0.947069 1.967995
H 0.831834 -0.245903 2.511154
H -3.274019 1.185042 -1.506960
H -3.366544 1.662334 0.204624
H 1.646913 -0.275651 -0.382049
H -4.811878 -0.845031 -1.788428
H -5.302675 -1.654005 -0.256189
H -3.000473 -4.158001 2.286490
H 4.981009 1.667005 2.733240
H 7.553225 2.640016 2.469124
H 8.148676 2.313137 -0.238380
H -7.415242 2.819290 -1.637952
H -7.437028 2.067227 -0.037960
H 4.771934 0.112008 -4.129129
H 3.064100 0.511160 -3.669112
H 3.738680 -1.129521 -3.306279


