%chk=000075750.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000075750

0 1
 S    6.530500       1.311900      0.6180000    
 S   -6.476200       1.692000      0.2235000    
 O    7.130100      0.3104000     -0.5264000    
 O   -6.638600       2.311100       1.728000    
 O    6.969800       2.657100      0.2780000    
 O    6.830100      0.7401000       1.921200    
 O   -6.161800       2.804200     -0.6615000    
 O   -7.623200      0.8367000     -3.8899999E-02
 N   -1.443200      0.8805000     -0.1843000    
 N  -0.3484000      0.3875000      0.3977000    
 N   -1.327400       1.899500      -1.038000    
 C    2.032700       1.141600      0.1036000    
 C   0.6239000       1.159800     -0.1191000    
 C    2.770500       2.120600     -0.6242000    
 C  -3.0000000E-03   2.123100      -1.034200    
 C   -2.694800      0.3360000      9.5700003E-02
 C    2.130200       3.042600      -1.506000    
 C    4.160900       2.146800     -0.4419000    
 C    2.674100      0.2359000      0.9715000    
 C   0.7419000       3.081100      -1.743300    
 C    4.795800       1.246000      0.4207000    
 C   -2.836400      -1.006300      0.4332000    
 C    4.056400      0.2955000       1.123700    
 C   -3.807700       1.168800      2.9600000E-02
 C   -5.074700      0.6537000      0.3038000    
 C   -4.103200      -1.521300      0.7073000    
 C   -5.222400     -0.6913000      0.6425000    
 C   -1.693600      -1.909600      0.5128000    
 C   -1.303100      -2.654900     -0.5186000    
 C  -0.2005000      -3.567900     -0.4316000    
 C   0.7676000      -3.430000      0.5776000    
 C  -6.4800002E-02  -4.619700      -1.353400    
 C    1.840300      -4.317700      0.6622000    
 C    1.007800      -5.507500      -1.268700    
 C    1.960300      -5.356300     -0.2608000    
 H    2.743400       3.771700      -2.038700    
 H    4.752400       2.877800     -0.9903000    
 H    2.107000     -0.5065000       1.525400    
 H   0.2950000       3.797600      -2.421100    
 H   -3.702900       2.223400     -0.2123000    
 H    4.537400     -0.4145000       1.790500    
 H   -4.237400      -2.566600      0.9760000    
 H   -6.197800      -1.113100      0.8681000    
 H   -1.249100      -1.965900       1.501600    
 H   -1.824300      -2.591900      -1.470600    
 H    6.929200      0.5643000      -1.457800    
 H   0.7394000      -2.627300       1.308600    
 H  -0.7966000      -4.756500      -2.146800    
 H   -5.882300       2.859900       2.043100    
 H    2.585600      -4.196800       1.443000    
 H    1.101800      -6.316300      -1.987400    
 H    2.796300      -6.046700     -0.1958000    


%chk=000075750-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000075750

0 1
S 6.846137 1.742146 0.574836
S -6.439645 1.815043 -0.061812
O 7.257962 1.142321 -1.135718
O -6.545665 1.962501 1.788815
O 7.304040 3.287744 0.709028
O 7.353913 0.634187 1.638561
O -6.040050 3.256378 -0.676398
O -7.751425 1.025511 -0.585559
N -1.300933 1.032248 -0.253494
N -0.086774 0.446783 0.066865
N -1.244239 2.371992 -0.618544
C 2.234056 1.472628 0.067457
C 0.805511 1.474551 -0.111801
C 2.904332 2.723477 -0.211108
C 0.096210 2.654053 -0.532339
C -2.574727 0.368364 -0.173035
C 2.157774 3.897687 -0.639086
C 4.321223 2.782917 -0.058629
C 2.971416 0.334051 0.500708
C 0.781542 3.884987 -0.800866
C 4.990192 1.635642 0.359346
C -2.732852 -1.062012 -0.117740
C 4.363356 0.402317 0.649613
C -3.696815 1.234240 -0.149852
C -4.968105 0.670065 -0.068210
C -4.076311 -1.551779 -0.040826
C -5.199153 -0.715983 -0.006999
C -1.606826 -2.001845 -0.188515
C -1.675757 -3.354030 0.042570
C -0.555599 -4.300665 -0.051060
C 0.749711 -3.930384 -0.495113
C -0.778798 -5.660373 0.315594
C 1.784165 -4.882561 -0.560305
C 0.257652 -6.613869 0.251002
C 1.545851 -6.228862 -0.186666
H 2.721010 4.816682 -0.834247
H 4.870164 3.711201 -0.250266
H 2.437125 -0.594871 0.722858
H 0.227137 4.770753 -1.120879
H -3.550830 2.315819 -0.209090
H 4.952399 -0.452176 0.994599
H -4.237725 -2.632595 -0.031743
H -6.216584 -1.114889 0.036553
H -0.635286 -1.557503 -0.409395
H -2.627452 -3.807669 0.354513
H 8.255898 1.093957 -1.207202
H 0.952348 -2.898212 -0.801362
H -1.776309 -5.964115 0.657387
H -7.322874 2.557765 2.000822
H 2.779054 -4.582358 -0.907554
H 0.063479 -7.652434 0.539773
H 2.354079 -6.966222 -0.240289


