%chk=000094437.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000094437

0 1
 S    2.828600     -1.0000000E-03  -1.616100    
 O    1.183000     -5.0000002E-04  -1.664700    
 O   -2.331100      8.9999998E-04  0.2426000    
 O    3.322600       1.271000      -2.098600    
 O    3.321800      -1.273000      -2.098700    
 O   -3.775200      -2.246200      0.4256000    
 O   -3.773400       2.249500      0.4250000    
 O   -2.621700      -4.722900      2.2299999E-02
 O   -2.617500       4.725000      2.1900000E-02
 C   0.5413000     -3.9999999E-04 -0.3525000    
 C    1.672900     -8.9999998E-04  0.6687000    
 C  -0.3015000      -1.260300     -0.2703000    
 C  -0.3003000       1.260400     -0.2700000    
 C    2.950900     -1.2000001E-03  0.1124000    
 C   -1.665600      -1.180500      2.8400000E-02
 C   -1.664700       1.181700      2.8300000E-02
 C    1.552000     -1.1000000E-03   2.052600    
 C   0.2611000      -2.533700     -0.4712000    
 C   0.2634000       2.533300     -0.4703000    
 C    4.116600     -1.3000000E-03  0.8481000    
 C   -2.445900      -2.337900      0.1302000    
 C   -2.443900       2.339800      0.1298000    
 C    2.713900     -1.1000000E-03   2.833600    
 C    3.985600     -1.4000000E-03   2.235000    
 C  -0.5178000      -3.688200     -0.3743000    
 C  -0.5144000       3.688600     -0.3734000    
 C   -1.871900      -3.590200     -7.2300002E-02
 C   -1.868800       3.591700     -7.2300002E-02
 H   0.5775000     -8.9999998E-04   2.530600    
 H    1.317500      -2.642700     -0.7005000    
 H    1.320000       2.641500     -0.6990000    
 H    5.092700     -1.4000000E-03  0.3781000    
 H    2.632600     -1.1000000E-03   3.917400    
 H    4.873200     -1.6000000E-03   2.861900    
 H  -5.8400001E-02  -4.660100     -0.5331000    
 H  -5.4099999E-02   4.660100     -0.5317000    
 H   -4.001400      -1.305800      0.5320000    
 H   -4.075700       3.080500      0.8262000    
 H   -3.535600      -4.467700      0.2378000    
 H   -3.553200       4.511100     -0.1247000    


%chk=000094437-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000094437

0 1
S 2.877170 0.164743 -1.836775
O 0.994777 -0.086939 -1.730345
O -2.476727 0.082376 -0.013417
O 3.245584 1.657104 -2.346455
O 3.547568 -1.102252 -2.581964
O -3.985775 -2.257605 0.180976
O -3.858070 2.504416 0.095876
O -2.780200 -4.714317 0.205356
O -2.524893 4.893929 0.023992
C 0.499027 -0.004917 -0.289524
C 1.739746 -0.020415 0.622471
C -0.364208 -1.240101 -0.100625
C -0.293933 1.286008 -0.145663
C 3.003672 0.049517 0.031131
C -1.770796 -1.144883 -0.017417
C -1.703531 1.270557 -0.058561
C 1.680432 -0.090812 2.033472
C 0.209611 -2.538773 -0.089351
C 0.346182 2.552291 -0.190637
C 4.219303 0.051448 0.731466
C -2.581288 -2.292156 0.086820
C -2.453374 2.461210 0.002112
C 2.877824 -0.094497 2.781240
C 4.141230 -0.025611 2.140404
C -0.581893 -3.694384 0.015384
C -0.384759 3.751050 -0.131892
C -1.987358 -3.573768 0.103398
C -1.793336 3.709549 -0.033337
H 0.708171 -0.148130 2.534044
H 1.294903 -2.638728 -0.185609
H 1.434013 2.599123 -0.300903
H 5.181285 0.106907 0.213524
H 2.829927 -0.152997 3.873554
H 5.060155 -0.031969 2.735073
H -0.139649 -4.693599 0.018426
H 0.110205 4.724300 -0.175395
H -4.317002 -1.329591 0.108709
H -4.236842 1.592287 0.073045
H -3.737600 -4.450593 0.240261
H -3.494451 4.682220 0.071935


