%chk=000069382.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000069382

0 1
 S  -0.2694000     -0.9869000     -8.3999999E-02
 S   0.2668000      0.9969000     -7.6800004E-02
 O   -4.206200       1.770100      0.8165000    
 O    4.200000      -1.775800      0.8100000    
 O   -5.834000      0.2131000      0.5625000    
 O    5.832900     -0.2231000      0.5630000    
 N   -4.110100      -1.786500      0.1661000    
 N    4.115600       1.783600      0.1733000    
 C   -2.759300     -0.1060000     -0.9918000    
 C    2.760300      0.1117000     -0.9919000    
 C   -3.505300     -0.4578000      0.3033000    
 C    3.506600      0.4561000      0.3051000    
 C   -1.573700      -1.011900      -1.337400    
 C    1.577700       1.022600      -1.334800    
 C   -4.646000      0.5111000      0.5590000    
 C    4.644000     -0.5173000      0.5577000    
 H   -2.446000      0.9443000     -0.9676000    
 H   -3.467000     -0.1523000      -1.832600    
 H    3.469800      0.1616000      -1.831000    
 H    2.444600     -0.9378000     -0.9732000    
 H   -2.853200     -0.4486000       1.181700    
 H    2.855000      0.4419000       1.184200    
 H   -1.145300     -0.7134000      -2.300500    
 H   -1.907900      -2.047800      -1.455600    
 H    1.145100      0.7207000      -2.295200    
 H    1.906400       2.058600      -1.461600    
 H   -4.763600      -1.797200     -0.6160000    
 H   -4.649600      -2.010300       1.001300    
 H    4.618000       2.013200       1.030700    
 H    3.387000       2.490400      8.5500002E-02
 H   -4.947900       2.387800      0.9916000    
 H    4.939600      -2.396600      0.9832000    


%chk=000069382-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000069382

0 1
S -0.466181 -1.044755 -0.092476
S 0.370346 1.071402 -0.066852
O -4.298096 1.477657 1.329502
O 4.185568 -1.437389 1.432915
O -6.093837 0.322215 0.414155
O 5.991655 -0.273233 0.549534
N -4.368000 -1.888064 -0.240561
N 4.269000 1.936804 -0.115641
C -2.974463 0.037829 -0.994680
C 2.904876 0.009282 -0.917660
C -3.795908 -0.598432 0.166035
C 3.695254 0.640210 0.267268
C -1.812316 -0.864725 -1.422482
C 1.748664 0.909832 -1.365541
C -4.863788 0.404362 0.631280
C 4.758541 -0.360220 0.747151
H -2.593898 1.029211 -0.687754
H -3.642454 0.188441 -1.867922
H 3.594323 -0.130868 -1.775856
H 2.522381 -0.986627 -0.628068
H -3.092064 -0.762789 1.003882
H 2.971701 0.793304 1.090200
H -1.326385 -0.497855 -2.341032
H -2.170667 -1.900234 -1.570584
H 1.286089 0.548270 -2.298083
H 2.105532 1.948180 -1.496452
H -5.192774 -1.781289 -0.843695
H -4.568172 -2.516916 0.543627
H 5.108831 1.839125 -0.699248
H 4.446053 2.560584 0.678097
H -5.011497 2.121294 1.591917
H 4.896585 -2.080207 1.703726


%chk=000069382-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000069382

0 1
S -0.466181 -1.044755 -0.092476
S 0.370346 1.071402 -0.066852
O -4.298096 1.477657 1.329502
O 4.185568 -1.437389 1.432915
O -6.093837 0.322215 0.414155
O 5.991655 -0.273233 0.549534
N -4.368000 -1.888064 -0.240561
N 4.269000 1.936804 -0.115641
C -2.974463 0.037829 -0.994680
C 2.904876 0.009282 -0.917660
C -3.795908 -0.598432 0.166035
C 3.695254 0.640210 0.267268
C -1.812316 -0.864725 -1.422482
C 1.748664 0.909832 -1.365541
C -4.863788 0.404362 0.631280
C 4.758541 -0.360220 0.747151
H -2.593898 1.029211 -0.687754
H -3.642454 0.188441 -1.867922
H 3.594323 -0.130868 -1.775856
H 2.522381 -0.986627 -0.628068
H -3.092064 -0.762789 1.003882
H 2.971701 0.793304 1.090200
H -1.326385 -0.497855 -2.341032
H -2.170667 -1.900234 -1.570584
H 1.286089 0.548270 -2.298083
H 2.105532 1.948180 -1.496452
H -5.192774 -1.781289 -0.843695
H -4.568172 -2.516916 0.543627
H 5.108831 1.839125 -0.699248
H 4.446053 2.560584 0.678097
H -5.011497 2.121294 1.591917
H 4.896585 -2.080207 1.703726


