%chk=000120840.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000120840

0 1
 S  -0.2367000      -1.261300      -1.557300    
 S    2.573100      0.7357000      -2.260400    
 P    1.208000      0.1835000     -0.9637000    
 O   0.3832000       1.456300     -0.3522000    
 O    1.869400     -0.3494000      0.4336000    
 O   -2.716100      2.9600000E-02 -0.3911000    
 O   -1.563900      6.5899998E-02   1.603300    
 C   -1.141800      -1.679900     -5.3700000E-02
 C   -2.178300      -2.753000     -0.3527000    
 C    1.070400       2.502200      0.3146000    
 C    2.713400      -1.489000      0.4386000    
 C   -1.807600     -0.4425000      0.5171000    
 C   6.6299997E-02   3.538600      0.7725000    
 C    3.178600      -1.751800       1.855000    
 C   -3.418100       1.215200     -3.5999999E-03
 H  -0.4352000      -2.057600      0.6925000    
 H   -1.700600      -3.685100     -0.6750000    
 H   -2.889800      -2.449500      -1.129500    
 H   -2.763500      -2.978000      0.5464000    
 H    1.789600       2.969300     -0.3636000    
 H    1.607900       2.098400       1.177700    
 H    3.580500      -1.312400     -0.2036000    
 H    2.164200      -2.355000      5.8300000E-02
 H   0.5647000       4.366800       1.283800    
 H  -0.4952000       3.935100     -7.9800002E-02
 H  -0.6640000       3.091500       1.454900    
 H    3.833700      -2.626500       1.895600    
 H    3.719700     -0.8857000       2.250100    
 H    2.322100      -1.920500       2.516200    
 H   -2.718500       2.048800      0.1043000    
 H   -4.134500       1.458600     -0.7926000    
 H   -3.966500       1.046100      0.9281000    


%chk=000120840-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000120840

0 1
S -0.424504 -1.036187 -1.667064
S 2.821939 0.555477 -2.474918
P 1.393836 0.180173 -1.034583
O 0.537415 1.471604 -0.277577
O 1.967908 -0.613810 0.420801
O -3.236407 0.003231 -0.623590
O -2.152751 0.724560 1.306480
C -1.269002 -1.211582 0.056584
C -1.979223 -2.580136 0.087285
C 1.274059 2.433138 0.605285
C 3.023001 -1.657425 0.288252
C -2.223725 -0.053970 0.328716
C 0.233359 3.459893 1.039771
C 3.442083 -2.025133 1.709123
C -4.202622 1.116068 -0.467530
H -0.455751 -1.158428 0.797530
H -1.249129 -3.394768 -0.052121
H -2.746383 -2.645463 -0.701852
H -2.477609 -2.718127 1.065102
H 2.099756 2.888285 0.024680
H 1.686966 1.870325 1.461419
H 3.864155 -1.245172 -0.300663
H 2.598990 -2.525638 -0.253136
H 0.693077 4.184044 1.738079
H -0.158521 4.012043 0.168735
H -0.606210 2.956075 1.547403
H 4.223367 -2.806913 1.675862
H 3.850208 -1.145835 2.235721
H 2.585428 -2.412641 2.286465
H -3.674312 2.082510 -0.524090
H -4.903433 0.998032 -1.305359
H -4.721466 1.040170 0.502990


