%chk=000062249.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000062249

0 1
 S   -7.376500      0.3379000     -0.2190000    
 O    2.079300       1.642400      0.5093000    
 O   -1.806000      -1.258200      0.4113000    
 O  -2.8600000E-02   2.449300      0.8451000    
 O   -8.240600     -0.5565000      0.5370000    
 O   -7.429400       1.772300      2.1299999E-02
 N    6.562700     -2.1600001E-02 -0.1368000    
 N   -2.157100      0.9172000     -0.1193000    
 N   -7.606800      5.0600000E-02  -1.886900    
 C    5.168400     -0.2338000     -0.1458000    
 C    2.400900     -0.6685000     -0.1660000    
 C    7.471100      -1.098200     -0.4780000    
 C    7.104700       1.279800      0.2002000    
 C    2.929100      0.5729000      0.1694000    
 C    4.302700      0.8064000      0.1845000    
 C    4.656300      -1.488100     -0.4850000    
 C   0.1448000      0.1754000      0.1602000    
 C    3.275700      -1.706700     -0.4960000    
 C   0.9574000     -0.8415000     -0.1645000    
 C   -1.271100     -2.7300000E-02  0.1440000    
 C   -3.364300      0.2686000     -2.0300001E-02
 C   -3.153300      -1.063300      0.3044000    
 C    7.673200      -2.009500      0.7173000    
 C    7.043600       2.198900      -1.004600    
 C   0.6931000       1.508400      0.5302000    
 C   -5.723400     -0.1956000     -1.6899999E-02
 C   -4.679400      0.7252000     -0.1877000    
 C   -4.160200      -2.004100      0.4816000    
 C   -5.466400      -1.532500      0.3111000    
 H    7.154200      -1.654400      -1.367400    
 H    8.449100     -0.6832000     -0.7553000    
 H    6.624800       1.725000       1.078800    
 H    8.157800       1.176400      0.4934000    
 H    4.633800       1.801100      0.4593000    
 H    5.275700      -2.336200     -0.7547000    
 H    2.896500      -2.689800     -0.7644000    
 H   0.5752000      -1.819300     -0.4435000    
 H    8.074600      -1.450500       1.569800    
 H    6.749400      -2.491300       1.048900    
 H    8.389700      -2.799400      0.4694000    
 H    7.602100       1.775900      -1.847000    
 H    6.022100       2.382500      -1.349000    
 H    7.491300       3.167700     -0.7602000    
 H   -4.865300       1.761700     -0.4482000    
 H   -3.950400      -3.036100      0.7335000    
 H   -6.283000      -2.240200      0.4339000    
 H   -8.225100     -0.7242000      -2.156600    
 H   -7.668800      0.8671000      -2.507400    


%chk=000062249-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000062249

0 1
S -7.610259 0.104373 0.073363
O 2.148342 1.783968 0.127983
O -1.776704 -1.201368 -0.148353
O 0.092312 2.804392 0.230177
O -8.438147 -1.196272 0.598762
O -7.719013 1.572458 0.769796
N 6.615940 -0.064746 -0.078326
N -2.319393 1.055419 0.105474
N -8.081423 0.267094 -1.701454
C 5.239238 -0.244148 -0.092737
C 2.380483 -0.642503 -0.115840
C 7.558138 -1.183792 -0.309410
C 7.223431 1.265953 0.157405
C 2.963885 0.659203 0.014915
C 4.346626 0.868595 0.023443
C 4.661243 -1.565035 -0.223235
C 0.119805 0.358500 0.000728
C 3.280698 -1.745739 -0.235891
C 0.962214 -0.755009 -0.116794
C -1.320957 0.186502 -0.001612
C -3.503960 0.287166 0.034116
C -3.174454 -1.093974 -0.121659
C 7.918856 -1.960313 0.977733
C 7.374759 2.109398 -1.129238
C 0.675381 1.717260 0.126816
C -5.789150 -0.353027 -0.014815
C -4.853962 0.687897 0.093678
C -4.122220 -2.120719 -0.213811
C -5.478393 -1.723687 -0.159497
H 7.141377 -1.867539 -1.070667
H 8.476473 -0.756106 -0.752335
H 6.627783 1.812738 0.910375
H 8.217855 1.100523 0.611536
H 4.702155 1.897249 0.102937
H 5.307857 -2.442113 -0.297790
H 2.867757 -2.756751 -0.331167
H 0.505639 -1.745601 -0.212159
H 8.384006 -1.292101 1.724476
H 7.022856 -2.410189 1.439306
H 8.636055 -2.769893 0.749305
H 8.012024 1.591924 -1.868830
H 6.395744 2.302287 -1.600375
H 7.843121 3.082682 -0.895063
H -5.152185 1.729513 0.239417
H -3.838229 -3.170100 -0.320353
H -6.285589 -2.460985 -0.203983
H -8.960142 -0.261920 -1.833717
H -8.174271 1.271234 -1.929230


