%chk=000127478.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000127478

0 1
 S   -3.201000      -1.738900     -0.4649000    
 S    5.628100     -0.8911000       1.269300    
 O   -1.771200      -2.271200      0.1200000    
 O   -3.823700      -2.787900      -1.246900    
 O   -3.043500     -0.3913000     -0.9738000    
 O   -6.045700       2.173700      0.1349000    
 O   -5.782500       1.264700       2.227700    
 O   0.6540000       1.129000      -2.722800    
 O   0.2581000       2.405400     -0.9812000    
 N   -5.730200     -4.8200000E-02  0.3145000    
 N  -0.8417000      -2.460000     -0.8827000    
 N   0.6051000     -0.8025000      6.6799998E-02
 N   0.9260000       1.518300      -1.562700    
 C   -4.039800      -1.643100       1.095800    
 C   -5.514400      -1.324700      0.9393000    
 C    6.967200      0.2223000      0.7576000    
 C    8.290200     -0.2132000       1.377400    
 C    4.225600     -0.1806000      0.4298000    
 C    1.865900     -0.2020000     -8.8500001E-02
 C    2.963700     -0.7588000      0.5676000    
 C    2.030100      0.9329000     -0.8827000    
 C    4.389700      0.9544000     -0.3646000    
 C    3.292100       1.511100      -1.021200    
 C    9.423700      0.7095000      0.9537000    
 C   -5.846800       1.142200       1.008900    
 C   0.3050000      -1.722000     -0.7943000    
 C   -6.183900       3.472200      0.7229000    
 H   -3.924100      -2.615000       1.586300    
 H   -3.529500     -0.8809000       1.693700    
 H   -6.013100      -2.075600      0.3179000    
 H   -5.997400      -1.325400       1.922400    
 H    6.747600       1.242600       1.090100    
 H    7.070700      0.1995000     -0.3326000    
 H    8.220600     -0.2056000       2.472000    
 H    8.537300      -1.237200       1.071300    
 H   -5.796600     -1.4900000E-02 -0.6983000    
 H    2.827300      -1.643400       1.186500    
 H    5.332100       1.462100     -0.5234000    
 H    3.434300       2.395700      -1.637500    
 H    9.549600      0.7032000     -0.1337000    
 H    9.231700       1.739200       1.272000    
 H    10.36580      0.3845000       1.406200    
 H   -1.006000      -3.202700      -1.552800    
 H    1.008400      -2.003600      -1.599100    
 H   -6.336500       4.195200     -8.2800001E-02
 H   -5.273400       3.739800       1.267300    
 H   -7.053700       3.496600       1.386300    


%chk=000127478-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000127478

0 1
S -3.216471 -1.138382 -1.381561
S 4.188668 -0.692242 1.756910
O -2.250329 -3.034353 -0.899647
O -4.800478 -1.092796 -0.968966
O -2.745877 -0.915874 -2.925933
O -5.684763 2.316391 1.830093
O -3.466025 2.500290 2.607852
O 0.995075 -1.604293 -4.246782
O 1.935697 0.449627 -4.543373
N -4.173755 0.728019 1.234281
N -1.443770 -3.383586 -1.929520
N 0.318497 -1.951412 -1.334246
N 1.672510 -0.584689 -3.812692
C -2.226268 0.058215 -0.188866
C -2.873941 0.063203 1.195728
C 5.696875 0.451748 1.634283
C 6.381285 0.510870 3.011690
C 3.464538 -0.603709 0.090350
C 1.586165 -1.342408 -1.365067
C 2.243709 -1.286438 -0.104457
C 2.208693 -0.623976 -2.447830
C 4.041934 0.118031 -0.990790
C 3.398132 0.116172 -2.233875
C 7.625006 1.428009 2.974900
C -4.352106 1.893406 1.947070
C -0.164557 -2.861122 -2.129582
C -6.006455 3.558164 2.563017
H -1.224459 -0.402339 -0.224451
H -2.272457 1.030985 -0.704753
H -2.947382 -0.969060 1.588180
H -2.201381 0.626607 1.871928
H 5.345799 1.451199 1.323584
H 6.381899 0.042702 0.871204
H 5.663666 0.883596 3.767082
H 6.678343 -0.508655 3.323531
H -4.953056 0.312010 0.713892
H 1.749470 -1.793064 0.730691
H 4.973723 0.675935 -0.873544
H 3.809579 0.676814 -3.077876
H 8.372161 1.062477 2.246253
H 7.352987 2.462591 2.695051
H 8.110248 1.463650 3.966335
H -1.856622 -3.975615 -2.661379
H 0.351747 -3.318137 -2.983411
H -7.065236 3.747690 2.336406
H -5.372115 4.390209 2.213348
H -5.853704 3.417836 3.646643


