%chk=000149566.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000149566

0 1
 S   -5.944900     -0.5104000       1.747500    
 O    5.417500      -1.182700      0.4920000    
 O   -2.438700      6.6999998E-03  -3.037300    
 O   -7.021500      -1.268300       2.357700    
 O   -5.034500      0.2659000       2.565700    
 N  -0.1680000      0.2484000      -1.392400    
 N    3.570700      0.8557000      0.4024000    
 N   -5.080200      -1.552900      0.6838000    
 C    1.099900      0.4544000     -0.7841000    
 C    2.028600     -0.5906000     -0.7463000    
 C    1.407700       1.700200     -0.2280000    
 C    3.269000     -0.3423000     -0.1347000    
 C    2.672500       1.858800      0.3633000    
 C   -1.395600     -0.1982000     -0.8859000    
 C    4.198000      -1.378700     -9.3900003E-02
 C    1.745800      -1.852700      -1.297000    
 C   0.4935000       2.767800     -0.2516000    
 C   -2.518200     -0.3148000      -1.715000    
 C    2.985000       3.096800      0.9186000    
 C    3.920300      -2.634100     -0.6404000    
 C    2.691800      -2.872100      -1.243200    
 C   -1.507500     -0.5352000      0.4685000    
 C   -3.836500      -1.094700      0.1534000    
 C   0.8304000       3.995400      0.3106000    
 C   -3.734100     -0.7613000      -1.197200    
 C    2.078800       4.159900      0.8969000    
 C   -2.723200     -0.9816000      0.9862000    
 C    5.741700      -2.019000       1.598000    
 C   -6.693400      0.5911000      0.5681000    
 C    6.671100      -1.268600       2.528000    
 C   -2.726000       1.357100      -3.393600    
 H  -0.1609000      0.4381000      -2.390200    
 H   0.7972000      -2.071100      -1.780500    
 H  -0.4894000       2.674900     -0.7059000    
 H    3.956900       3.250600       1.383900    
 H    4.658400      -3.431000     -0.6104000    
 H    2.472200      -3.844800      -1.672300    
 H  -0.6574000     -0.4604000       1.141800    
 H   -4.599900     -0.8478000      -1.849600    
 H   0.1230000       4.818700      0.2901000    
 H   -2.783800      -1.250100       2.037600    
 H    2.351700       5.113900       1.338300    
 H   -5.661100      -2.062300      4.1000000E-03
 H    4.839500      -2.310700       2.150100    
 H    6.237900      -2.923200       1.229100    
 H   -7.290400      7.6000001E-03 -0.1353000    
 H   -7.339400       1.280600       1.116500    
 H   -5.913000       1.152700      5.2099999E-02
 H    6.950100      -1.887300       3.385400    
 H    7.581300     -0.9642000       2.000800    
 H    6.193600     -0.3531000       2.893100    
 H   -2.044400       2.047600      -2.887300    
 H   -3.762800       1.605100      -3.145200    
 H   -2.590700       1.462400      -4.473500    


%chk=000149566-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000149566

0 1
S -6.630947 0.841661 1.149205
O 5.578603 -0.827733 0.776688
O -2.034310 -0.599543 -2.890795
O -8.236071 0.594421 0.973923
O -5.995882 1.284731 2.582145
N -0.252925 -0.116836 -1.027134
N 3.372338 0.674443 1.143039
N -5.625543 -0.934103 0.563159
C 0.915970 0.157379 -0.269932
C 2.048043 -0.703750 -0.447601
C 1.019708 1.295399 0.590894
C 3.272761 -0.371358 0.275534
C 2.277883 1.483381 1.306593
C -1.568183 -0.270118 -0.581248
C 4.445953 -1.217593 0.075318
C 2.012910 -1.874500 -1.281502
C -0.010982 2.287350 0.746015
C -2.563670 -0.535019 -1.586664
C 2.409666 2.596573 2.208743
C 4.378727 -2.330831 -0.771239
C 3.153839 -2.656139 -1.434082
C -1.976236 -0.245679 0.781147
C -4.307382 -0.700555 0.132834
C 0.161211 3.364410 1.611700
C -3.909465 -0.712679 -1.246563
C 1.374851 3.512702 2.366593
C -3.316926 -0.461017 1.132878
C 6.800150 -1.649458 0.628944
C -6.125159 2.242393 -0.091224
C 7.869776 -0.997228 1.499578
C -2.953180 -0.909240 -3.988538
H -0.119190 -0.375634 -2.010338
H 1.080450 -2.175198 -1.769271
H -0.935759 2.196111 0.169930
H 3.360336 2.689866 2.742214
H 5.249809 -2.973151 -0.924743
H 3.119256 -3.551619 -2.064435
H -1.230538 -0.080747 1.562906
H -4.664419 -0.891552 -2.020379
H -0.633628 4.110850 1.716973
H -3.630236 -0.464287 2.180667
H 1.485049 4.359384 3.052616
H -6.262412 -1.221073 -0.210370
H 6.584771 -2.687012 0.957877
H 7.101360 -1.670039 -0.438849
H -6.576778 1.988529 -1.059839
H -6.548795 3.160200 0.339958
H -5.027326 2.262709 -0.117937
H 8.813087 -1.569543 1.433969
H 8.061451 0.037477 1.169176
H 7.547132 -0.968904 2.553864
H -3.725033 -0.122729 -4.091609
H -3.436900 -1.892775 -3.834985
H -2.328615 -0.936126 -4.893005


