%chk=000145454.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000145454

0 1
 S   -2.323300     -5.0000001E-02 -0.1242000    
 O   -3.296100      0.9105000     -0.6054000    
 O   -2.709300      -1.382400      0.2894000    
 N   -1.378600      0.6921000       1.135200    
 C   0.2835000      0.2247000     -0.5842000    
 C    1.134400     -0.9038000      8.3200000E-02
 C    2.072300      0.1453000      0.7294000    
 C  -9.2500001E-02   1.182800      0.5759000    
 C    1.336400      0.9961000      -1.416400    
 C    1.094400       1.043200       1.534900    
 C    2.564100      0.9766000     -0.4831000    
 C  -0.9878000     -0.1448000      -1.320300    
 C   0.4648000      -1.839500       1.104300    
 C    1.837700      -1.851000     -0.9186000    
 H    2.887400     -0.2555000       1.336500    
 H  -0.2383000       2.219400      0.2509000    
 H    1.026600       2.022400      -1.643400    
 H    1.550700      0.5092000      -2.373300    
 H   0.8240000      0.5928000       2.494900    
 H    1.543500       2.018800       1.752200    
 H    3.419000      0.5015000     -0.9755000    
 H    2.870600       1.988000     -0.1959000    
 H   -1.215900      0.5793000      -2.108800    
 H  -0.9625000      -1.150900      -1.744300    
 H   -1.291700      0.1503000       2.002500    
 H    1.208700      -2.521900       1.534300    
 H   4.1000000E-03  -1.345800       1.957300    
 H  -0.2985000      -2.458900      0.6227000    
 H    2.392400      -1.353100      -1.715800    
 H    2.560000      -2.490400     -0.3972000    
 H    1.105600      -2.504500      -1.406700    


%chk=000145454-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000145454

0 1
S -2.458389 -0.016228 -0.127350
O -3.507698 1.041526 -0.754241
O -2.991981 -1.449320 0.443225
N -1.399999 0.815588 1.232114
C 0.296443 0.199027 -0.611263
C 1.187564 -0.910825 0.084288
C 2.128619 0.157847 0.749010
C -0.103430 1.165944 0.606788
C 1.353936 1.030835 -1.412452
C 1.136617 1.047826 1.557138
C 2.615575 0.994969 -0.473599
C -0.924691 -0.227009 -1.388213
C 0.460892 -1.840050 1.093466
C 1.895952 -1.840657 -0.935006
H 2.946158 -0.254909 1.363916
H -0.209602 2.193767 0.217298
H 0.990639 2.057755 -1.598049
H 1.565388 0.579632 -2.396954
H 0.861022 0.588445 2.523105
H 1.560921 2.040578 1.783767
H 3.473533 0.513218 -0.973300
H 2.937692 2.006180 -0.167945
H -1.206772 0.436055 -2.220088
H -0.976162 -1.291346 -1.661954
H -1.322679 0.067989 1.949016
H 1.119311 -2.691558 1.345277
H 0.204013 -1.353216 2.049010
H -0.473014 -2.260830 0.675209
H 2.381734 -1.306559 -1.767129
H 2.671451 -2.438993 -0.421709
H 1.172654 -2.555180 -1.372877


