%chk=000066128.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000066128

0 1
 S   -4.320500      0.4583000      0.2369000    
 S    2.504200      0.5125000      -2.181800    
 P    2.680000      5.2800000E-02 -0.2947000    
 O    1.484700     -0.8234000      0.3628000    
 O    3.979300     -0.8462000      0.1002000    
 O    2.821700       1.281100      0.7627000    
 C   -2.147400      -1.257800      0.3176000    
 C   -1.625600       1.100500      0.2613000    
 C   -2.567500      7.1699999E-02  0.2748000    
 C   0.1484000     -0.5281000      0.3337000    
 C  -0.7857000      -1.558500      0.3473000    
 C  -0.2638000      0.7998000      0.2908000    
 C   -3.112300      -2.401100      0.3344000    
 C   -2.018200       2.543300      0.2160000    
 C   -4.640300      0.4863000      -1.546900    
 C    4.075500      -2.185500     -0.3549000    
 C    3.787500       2.294400      0.5399000    
 H  -0.4424000      -2.589500      0.3802000    
 H   0.4542000       1.611700      0.2877000    
 H   -3.782600      -2.333000       1.197600    
 H   -3.699400      -2.429400     -0.5889000    
 H   -2.597600      -3.365600      0.4126000    
 H   -1.145300       3.205000      0.2555000    
 H   -2.547900       2.774000     -0.7136000    
 H   -2.646700       2.803400       1.074200    
 H   -4.032300       1.252600      -2.034400    
 H   -5.695000      0.7154000      -1.719500    
 H   -4.416900     -0.4863000      -1.992800    
 H    4.995100      -2.622600      4.1900001E-02
 H    4.114500      -2.211900      -1.446500    
 H    3.223900      -2.769500      2.7000001E-03
 H    3.930500       2.850000       1.470000    
 H    3.431500       2.982000     -0.2311000    
 H    4.742100       1.854500      0.2394000    


%chk=000066128-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000066128

0 1
S -4.507671 0.261671 0.183409
S 2.516532 0.000449 -2.301330
P 2.711437 -0.094722 -0.251699
O 1.448449 -0.836907 0.685185
O 4.058129 -0.963946 0.379744
O 2.884221 1.383744 0.618042
C -2.210447 -1.380179 0.309102
C -1.777208 1.068624 0.379086
C -2.679941 -0.031593 0.279328
C 0.069513 -0.524092 0.501509
C -0.817851 -1.611326 0.412689
C -0.389892 0.804953 0.492907
C -3.153489 -2.567451 0.233198
C -2.247954 2.511041 0.378485
C -4.663696 0.905470 -1.590637
C 4.412660 -2.263578 -0.236637
C 3.890323 2.360997 0.134873
H -0.419670 -2.630372 0.428021
H 0.323954 1.629215 0.596833
H -3.790832 -2.631328 1.134139
H -3.841737 -2.481279 -0.626062
H -2.589149 -3.511260 0.143809
H -1.547180 3.153270 0.938811
H -2.305683 2.912706 -0.652099
H -3.252944 2.599668 0.825760
H -4.158991 1.877559 -1.693616
H -5.743076 1.022266 -1.777015
H -4.235785 0.173736 -2.292041
H 5.405053 -2.503160 0.172257
H 4.459024 -2.176515 -1.337954
H 3.680032 -3.034906 0.057356
H 3.679812 3.279131 0.702470
H 3.771815 2.542183 -0.949469
H 4.907942 1.996832 0.356647


