%chk=000087402.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000087402

0 1
 S   -2.896400       2.396300     -0.6312000    
 O  -0.6401000       4.200300     -0.2806000    
 O    2.607000      -2.561800       1.144200    
 O    3.581600       1.981600      0.9090000    
 O    6.091800     -0.8569000      -2.026600    
 O   -2.781200      -3.608700      0.8161000    
 O   -1.884400      -3.584400      -1.187400    
 N    3.152900     -0.3021000       1.064100    
 N   -2.048200      -3.083900     -5.2000001E-02
 C   0.4480000      0.2433000      0.4282000    
 C  -0.9275000      0.5142000      0.1126000    
 C   -1.870700     -0.5630000      5.8200002E-02
 C   0.8654000      -1.072900      0.6470000    
 C    1.378200       1.292900      0.5126000    
 C   -1.275300       1.862900     -0.1381000    
 C   -1.373400      -1.867600      0.2648000    
 C   -3.335600     -0.3460000     -0.1933000    
 C    2.274200      -1.390500      0.9732000    
 C    2.799700       1.035300      0.8456000    
 C  -3.7999999E-02  -2.123300      0.5542000    
 C   0.9918000       2.611000      0.2811000    
 C  -0.3235000       2.890000     -4.7899999E-02
 C    4.540700     -0.6092000       1.395000    
 C   -3.868500      0.9180000     -0.5093000    
 C    5.308400      -1.185900      0.2128000    
 C   -4.272900      -1.405200     -0.1080000    
 C   -5.248800       1.089900     -0.7476000    
 C    5.375000     -0.2293000     -0.9717000    
 C   -5.641500      -1.229800     -0.3418000    
 C   -6.131000      2.1100000E-02 -0.6671000    
 C   -1.068400       4.966500      0.8403000    
 C    6.210600     -3.1999999E-03  -3.156500    
 H   0.3047000      -3.149200      0.6818000    
 H    1.705700       3.428500      0.3426000    
 H    4.547200      -1.339700       2.213200    
 H    5.049800      0.2875000       1.765600    
 H    6.328500      -1.436600      0.5296000    
 H    4.865700      -2.132900     -0.1188000    
 H   -4.133300      -2.420300      0.1418000    
 H   -5.653200       2.069800     -0.9962000    
 H    4.369500      1.5200000E-02  -1.330500    
 H    5.884300      0.6963000     -0.6789000    
 H   -6.321600      -2.073800     -0.2645000    
 H   -7.190500      0.1681000     -0.8502000    
 H   -1.494500       5.903900      0.4725000    
 H  -0.2114000       5.201500       1.479400    
 H   -1.830500       4.442600       1.425900    
 H    6.766700     -0.5353000      -3.933000    
 H    6.760400      0.9060000      -2.894400    
 H    5.222000      0.2538000      -3.549200    


%chk=000087402-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000087402

0 1
S -3.144891 2.276557 -0.692345
O -1.055072 4.068344 -0.206730
O 2.522715 -2.760915 1.014178
O 3.423639 1.827325 1.112668
O 6.403517 -0.452335 -1.783917
O -2.102880 -4.335898 -0.055315
O -2.998016 -3.041243 -1.710347
N 2.969552 -0.468119 1.065933
N -2.274492 -3.201981 -0.653733
C 0.242314 0.090957 0.386652
C -1.145215 0.370724 0.064134
C -2.085711 -0.724297 -0.088691
C 0.694344 -1.262212 0.502969
C 1.166133 1.157246 0.576100
C -1.517802 1.742911 -0.119627
C -1.520467 -2.030074 -0.138614
C -3.546583 -0.490393 -0.072548
C 2.099447 -1.575578 0.871915
C 2.584016 0.892041 0.929405
C -0.177047 -2.309599 0.201872
C 0.761859 2.493144 0.414705
C -0.565560 2.785104 0.041958
C 4.383302 -0.769921 1.439541
C -4.122514 0.776424 -0.379742
C 5.270294 -1.128081 0.227286
C -4.452131 -1.521057 0.331468
C -5.525452 0.966103 -0.418993
C 5.479233 0.032318 -0.752278
C -5.841621 -1.336049 0.316847
C -6.388250 -0.094450 -0.094116
C -0.131886 5.202478 -0.058862
C 6.678032 0.560384 -2.799130
H 0.186313 -3.341127 0.217067
H 1.513203 3.273027 0.569112
H 4.354162 -1.626455 2.132573
H 4.770081 0.121344 1.960014
H 6.259662 -1.439835 0.612470
H 4.846167 -1.995697 -0.307854
H -4.062639 -2.474902 0.696575
H -5.932092 1.950357 -0.675241
H 4.518826 0.343936 -1.221229
H 5.904723 0.919610 -0.233359
H -6.499959 -2.151633 0.631001
H -7.472477 0.053753 -0.123736
H -0.732562 6.088563 -0.307397
H 0.718985 5.114458 -0.759738
H 0.239017 5.277543 0.980247
H 7.372628 0.098620 -3.518732
H 7.151573 1.464298 -2.358312
H 5.750982 0.869279 -3.329505


