%chk=000081841.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000081841

0 1
 S    2.087200       2.591400       1.388500    
 O   -2.928100       2.207900      0.3155000    
 O    2.705200      -2.407700      0.3504000    
 C   0.7136000       2.557400      0.2536000    
 C    3.051200       1.201800      0.8118000    
 C   -1.638300       2.370400     -0.1618000    
 C    3.246200      -1.158700      0.3566000    
 C  -0.5852000       2.393900      0.7349000    
 C    2.493600     -7.4199997E-02  0.8070000    
 C   0.9376000       2.694700      -1.116400    
 C    4.356300       1.400500      0.3689000    
 C   -1.436200       2.505000      -1.523600    
 C    4.554000     -0.9635000     -8.7899998E-02
 C  -0.1374000       2.668500      -2.005000    
 C    5.109000      0.3160000     -8.1699997E-02
 C   -3.404200      0.9382000      0.4321000    
 C    1.416500      -2.548300     -0.1366000    
 C   -3.223200      0.2320000       1.621400    
 C    1.066700      -1.908000      -1.311800    
 C   -4.072300      0.3429000     -0.6377000    
 C   0.5120000      -3.324800      0.5648000    
 C   -3.710300      -1.069700       1.740600    
 C  -0.2317000      -2.048800      -1.801900    
 C   -4.559500     -0.9587000     -0.5186000    
 C  -0.7863000      -3.465800      7.4699998E-02
 C   -4.378400      -1.664900      0.6707000    
 C   -1.158100      -2.827600      -1.108700    
 H  -0.7732000       2.291500       1.800500    
 H    1.484200     -0.2246000       1.183700    
 H    1.940200       2.829400      -1.514600    
 H    4.804800       2.390800      0.3659000    
 H   -2.269400       2.491500      -2.219500    
 H    5.144900      -1.804400     -0.4405000    
 H   3.6600001E-02   2.777500      -3.071500    
 H    6.127100      0.4679000     -0.4282000    
 H   -2.708600      0.6882000       2.462500    
 H    1.775300      -1.314400      -1.881900    
 H   -4.223000      0.8860000      -1.566500    
 H   0.7998000      -3.821300       1.486600    
 H   -3.569100      -1.619800       2.666300    
 H  -0.5203000      -1.555700      -2.725600    
 H   -5.079600      -1.422400      -1.351600    
 H   -1.507900      -4.072200      0.6142000    
 H   -4.756400      -2.678900      0.7629000    
 H   -2.167000      -2.941500      -1.493600    


%chk=000081841-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000081841

0 1
S 2.430300 3.129021 0.516059
O -2.637107 1.945615 0.749015
O 3.059123 -2.168222 0.554754
C 0.853873 2.586549 -0.281808
C 3.413979 1.564521 0.434197
C -1.505791 2.020394 -0.096343
C 3.593935 -0.860148 0.445381
C -0.297627 2.425127 0.516489
C 2.788327 0.299824 0.482392
C 0.807970 2.360915 -1.678028
C 4.823788 1.676578 0.381069
C -1.574854 1.785278 -1.489264
C 5.003235 -0.775734 0.401023
C -0.410445 1.958153 -2.270581
C 5.607522 0.499352 0.378176
C -3.618162 0.934605 0.551273
C 1.764791 -2.488982 0.072470
C -3.281431 -0.384079 0.166423
C 1.211299 -1.921742 -1.099963
C -4.947650 1.291296 0.862903
C 1.082499 -3.502494 0.781841
C -4.307517 -1.351527 0.083761
C -0.049684 -2.373525 -1.549257
C -5.960776 0.310819 0.778595
C -0.173483 -3.948276 0.316547
C -5.647373 -1.011715 0.384937
C -0.748221 -3.383822 -0.847150
H -0.269980 2.592387 1.596448
H 1.700553 0.218131 0.557320
H 1.708029 2.502088 -2.283610
H 5.299030 2.661381 0.332312
H -2.520189 1.485222 -1.951709
H 5.593902 -1.695815 0.387070
H -0.458876 1.793126 -3.352487
H 6.699227 0.579279 0.340384
H -2.243039 -0.658830 -0.045800
H 1.752928 -1.150682 -1.656109
H -5.165500 2.319161 1.167811
H 1.545527 -3.924264 1.678831
H -4.051074 -2.377161 -0.204613
H -0.479595 -1.936806 -2.457751
H -6.994423 0.582183 1.019527
H -0.702694 -4.734667 0.865694
H -6.435862 -1.768901 0.320563
H -1.720181 -3.736110 -1.209892


