%chk=000033613.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000033613

0 1
 S   0.8127000     -0.5305000       1.047000    
 O    2.541200       1.938400      -2.137700    
 O    5.116400      -1.805900     -6.6699997E-02
 O    4.375300     -0.4801000       1.633100    
 O   -1.179800       2.444000       1.602100    
 O   -4.159400      -3.489100      8.3400004E-02
 N    2.786300      0.7498000     -0.1147000    
 N  -0.1496000       1.968900     -0.4201000    
 N   -3.572500       2.827100      0.2755000    
 C    1.806300       1.005900      0.9417000    
 C    1.829300      -1.442000     -0.2179000    
 C    3.121000     -0.6204000     -0.4284000    
 C    1.234900       2.118800      4.7899999E-02
 C    2.295400       1.681400     -0.9812000    
 C    2.077500      -2.871700      0.2742000    
 C    1.004500      -1.498300      -1.514800    
 C    4.247800     -0.9379000      0.5072000    
 C   -1.258200       2.147300      0.4110000    
 C   -2.583800       1.914400     -0.3056000    
 C   -3.006400      0.4636000     -0.2012000    
 C   -3.187400     -0.2708000      -1.359200    
 C   -3.202200     -9.2600003E-02   1.050200    
 C   -3.577500      -1.606600      -1.262600    
 C   -3.592100      -1.428500       1.146700    
 C   -3.779800      -2.185400     -9.7000003E-03
 H    2.256100       1.340400       1.880700    
 H    3.476600     -0.6650000      -1.464600    
 H    1.421100       3.132100      0.4236000    
 H    1.139000      -3.430200      0.3738000    
 H    2.706900      -3.421200     -0.4352000    
 H    2.575800      -2.896300       1.249600    
 H    1.560300      -2.026300      -2.298700    
 H   5.9999999E-02  -2.036500      -1.370200    
 H   0.7635000     -0.5048000      -1.905800    
 H  -0.3223000       1.715900      -1.390300    
 H   -2.463300       2.196000      -1.359300    
 H    5.862100      -2.026900      0.5312000    
 H   -4.454100       2.737400     -0.2289000    
 H   -3.268900       3.790700      0.1369000    
 H   -3.031500      0.1684000      -2.340000    
 H   -3.065800      0.4817000       1.961500    
 H   -3.721100      -2.191500      -2.167000    
 H   -3.747000      -1.867500       2.128600    
 H   -4.252600      -3.723600       1.022700    


%chk=000033613-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000033613

0 1
S 0.843615 -1.077312 0.976252
O 2.026827 1.752205 -2.190348
O 5.455216 -1.616345 -0.029031
O 4.470792 -0.534257 1.779572
O -1.136199 3.784193 0.527528
O -4.034141 -3.346749 -0.053758
N 2.636157 0.620850 -0.117352
N -0.528818 1.623744 -0.096954
N -3.785343 3.129364 0.507474
C 1.629570 0.666144 0.970314
C 2.147827 -1.782250 -0.303634
C 3.280748 -0.660451 -0.395065
C 0.873695 1.801021 0.176552
C 1.892303 1.473014 -0.988442
C 2.648683 -3.138529 0.228110
C 1.465810 -1.933825 -1.680473
C 4.426148 -0.897729 0.587423
C -1.450313 2.637532 0.087512
C -2.914082 2.308482 -0.338927
C -3.252702 0.818097 -0.255845
C -3.145694 -0.017975 -1.397155
C -3.651042 0.240574 0.974671
C -3.407349 -1.401910 -1.316391
C -3.917458 -1.139958 1.071750
C -3.787679 -1.962158 -0.075950
H 2.009700 0.886968 1.974894
H 3.686843 -0.653045 -1.420597
H 1.016569 2.810279 0.600755
H 1.819552 -3.866877 0.249112
H 3.438049 -3.538497 -0.435201
H 3.051015 -3.053264 1.251554
H 2.151240 -2.438417 -2.389236
H 0.550407 -2.543368 -1.591414
H 1.184755 -0.957581 -2.111341
H -0.861348 0.686395 -0.349111
H -2.944224 2.596197 -1.422063
H 6.186705 -1.785948 0.625756
H -4.745082 3.220640 0.168801
H -3.344007 4.013807 0.783161
H -2.865071 0.417127 -2.365086
H -3.763163 0.900772 1.840894
H -3.334568 -2.051905 -2.193298
H -4.223910 -1.575316 2.032373
H -4.305330 -3.641140 0.851014


