%chk=000059071.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000059071

0 1
 S    5.910500     -0.3627000      0.2864000    
 O   -2.261000      -1.842200      2.5100000E-02
 O  -0.6899000      -1.577300      -1.647700    
 N    1.893600      1.9200001E-02  0.7650000    
 C  -0.9944000      0.1414000      3.3399999E-02
 C   0.1233000      0.8907000     -0.7364000    
 C  -0.4694000     -0.1673000       1.459000    
 C    1.496400      0.2155000     -0.6319000    
 C   0.9184000     -0.8186000       1.469100    
 C   -2.300300      0.9535000      7.6000001E-03
 C   -1.274600      -1.183700     -0.6475000    
 C    3.228500     -0.5740000      0.8402000    
 C   -2.888700       1.279700      -1.211500    
 C   -2.887900       1.358000       1.203300    
 C    4.247100      0.3615000      0.2008000    
 C   -4.073100       2.016100      -1.235000    
 C   -4.072500       2.094200       1.179700    
 C   -4.665000       2.423300     -3.9600000E-02
 C   -2.628000      -3.116200     -0.5139000    
 C    6.818000      0.9683000     -0.5327000    
 C   -3.726400      -3.714500      0.3389000    
 C    8.295700      0.6352000     -0.6124000    
 H  -0.1250000      0.9951000      -1.800500    
 H   0.2059000       1.914500     -0.3434000    
 H  -0.3776000      0.7667000       2.031300    
 H   -1.158500     -0.8126000       2.018700    
 H    1.523700     -0.7276000      -1.188700    
 H    2.168800      0.9057000      -1.148600    
 H    1.223900     -0.9398000       2.516000    
 H   0.8681000      -1.824200       1.031900    
 H    3.246100      -1.558200      0.3525000    
 H    3.497500     -0.7247000       1.893900    
 H   -2.449100      0.9679000      -2.154600    
 H   -2.479500       1.122300       2.178900    
 H    4.067300      0.5156000     -0.8644000    
 H    4.251600       1.332800      0.7071000    
 H   -4.535600       2.270900      -2.184100    
 H   -4.535700       2.409400       2.110200    
 H   -5.587800       2.995500     -5.7900000E-02
 H   -1.755000      -3.778300     -0.5116000    
 H   -2.985200      -2.988000      -1.541800    
 H    6.420700       1.110900      -1.542600    
 H    6.681900       1.898400      2.8100001E-02
 H   -4.032300      -4.691400     -4.5699999E-02
 H   -3.389600      -3.831200       1.374200    
 H   -4.599400      -3.053800      0.3614000    
 H    8.834700       1.448300      -1.110100    
 H    8.471800     -0.2794000      -1.189000    
 H    8.734200      0.5091000      0.3834000    


%chk=000059071-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000059071

0 1
S 5.958778 -0.507057 0.106882
O -2.104275 -2.023176 0.168949
O -1.521987 -1.366866 -1.979521
N 1.821514 -0.098711 0.380698
C -1.116505 0.195315 -0.076614
C -0.037412 0.881891 -0.971898
C -0.485208 -0.067885 1.317592
C 1.291249 0.101868 -0.992452
C 0.842104 -0.842873 1.211041
C -2.390209 1.081251 -0.014005
C -1.565906 -1.124757 -0.749209
C 3.173564 -0.709338 0.395153
C -3.067332 1.408365 -1.220272
C -2.904055 1.589414 1.204845
C 4.262161 0.340502 0.109445
C -4.215936 2.226991 -1.208618
C -4.053201 2.413444 1.217790
C -4.714003 2.738100 0.012635
C -2.676675 -3.283255 -0.401266
C 7.034064 1.035766 -0.145421
C -3.200081 -4.099774 0.775274
C 8.513881 0.628242 -0.188416
H -0.410722 0.981523 -2.005435
H 0.139120 1.895616 -0.567099
H -0.268241 0.908663 1.790158
H -1.185696 -0.626301 1.961986
H 1.137807 -0.877905 -1.512716
H 2.030327 0.671126 -1.584137
H 1.268634 -0.971704 2.223003
H 0.646250 -1.869212 0.802644
H 3.261788 -1.552764 -0.334734
H 3.351454 -1.133892 1.400971
H -2.701949 1.006636 -2.172741
H -2.416798 1.346773 2.153362
H 4.118771 0.818123 -0.875312
H 4.251355 1.115783 0.893985
H -4.722931 2.464046 -2.150859
H -4.431861 2.798860 2.171488
H -5.604921 3.375942 0.023989
H -1.879369 -3.804123 -0.961735
H -3.473129 -3.005336 -1.115071
H 6.723123 1.514427 -1.090999
H 6.832936 1.729330 0.690208
H -3.643057 -5.043431 0.407707
H -2.385787 -4.349102 1.477122
H -3.976969 -3.542815 1.326266
H 9.151545 1.519658 -0.335707
H 8.709750 -0.073685 -1.018461
H 8.820242 0.140306 0.754007


