%chk=000047210.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000047210

0 1
 S   0.5131000      -1.220300     -0.5166000    
 O   0.9929000      -2.406100      0.1670000    
 O   0.3780000      -1.224900      -1.961300    
 O   -3.067400      0.4189000      0.1660000    
 O   -1.694700      0.6232000      -1.653600    
 N  -0.9739000     -0.6547000      0.1888000    
 C    1.617800      8.9500003E-02 -7.2999999E-02
 C   -1.286300      -1.171500       1.555200    
 C    2.986900     -0.1173000     -6.7299999E-02
 C    1.071300       1.317600      0.2625000    
 C   -1.913100      0.1795000     -0.5318000    
 C   -1.985200      -2.511700       1.447600    
 C    3.834300      0.9335000      0.2840000    
 C    3.591000      -1.435300     -0.4266000    
 C    1.918800       2.368400      0.6141000    
 C    3.300400       2.176400      0.6251000    
 C   -4.040700       1.236700     -0.4927000    
 C   -5.243300       1.398000      0.4126000    
 H  -0.3618000      -1.268700       2.135200    
 H   -1.904000     -0.4536000       2.104500    
 H   1.5000000E-02   1.541000      0.2670000    
 H   -2.925400      -2.421000      0.8936000    
 H   -1.370800      -3.256400      0.9337000    
 H   -2.217300      -2.897400       2.445300    
 H    4.912900      0.8007000      0.2996000    
 H    3.152200      -1.850200      -1.339100    
 H    4.662700      -1.331200     -0.6339000    
 H    3.494100      -2.145500      0.4000000    
 H    1.504100       3.337100      0.8776000    
 H    3.960100       2.994600      0.8988000    
 H   -3.605700       2.218800     -0.7087000    
 H   -4.344900      0.7583000      -1.430200    
 H   -6.008900       2.019000     -6.0699999E-02
 H   -5.677900      0.4221000      0.6531000    
 H   -4.951400       1.858400       1.362300    


%chk=000047210-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000047210

0 1
S 0.793553 -1.411162 0.981344
O 0.984270 -1.846928 2.538015
O 0.924503 -2.539775 -0.168200
O -2.817127 0.167600 -0.055676
O -0.732076 0.152491 -1.142050
N -0.992446 -0.707016 1.027942
C 1.905933 0.107824 0.673893
C -1.830028 -1.147776 2.160046
C 2.490046 0.370487 -0.588414
C 2.121436 0.863736 1.840730
C -1.446824 -0.122484 -0.141062
C -2.599845 -2.454898 1.890361
C 3.337136 1.515525 -0.616226
C 2.280084 -0.447386 -1.843245
C 2.963550 1.992268 1.759799
C 3.567472 2.315123 0.523043
C -3.383708 0.873181 -1.247727
C -4.873787 1.049581 -0.975857
H -1.153087 -1.272937 3.025685
H -2.524103 -0.316813 2.381044
H 1.662011 0.561269 2.786836
H -3.264219 -2.345096 1.016508
H -1.903473 -3.291674 1.707487
H -3.219919 -2.710759 2.769038
H 3.818226 1.772444 -1.566549
H 1.208467 -0.467874 -2.104459
H 2.851821 -0.011137 -2.678961
H 2.591978 -1.496581 -1.704436
H 3.148023 2.599794 2.651169
H 4.226163 3.187042 0.447191
H -2.857208 1.837463 -1.365105
H -3.184738 0.257904 -2.143122
H -5.347825 1.568089 -1.829217
H -5.369306 0.072507 -0.844931
H -5.042055 1.651868 -0.066794


