%chk=000066594.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000066594

0 1
 S   -4.860800       2.749300      -1.097000    
 S    4.862000       2.748300       1.097300    
 O   -5.999900      -1.342000       1.700600    
 O    5.998700      -1.342000      -1.702700    
 O   -4.398500       3.852500      1.7400000E-02
 O    4.399000       3.852000     -1.6400000E-02
 O   -4.021600       2.952100      -2.268800    
 O   -6.310500       2.796800      -1.205300    
 O    4.023700       2.950900       2.269800    
 O    6.311800       2.795600       1.204600    
 N  -9.9999997E-05  -2.991300      6.9999998E-04
 C   -2.853600     -0.6070000     -8.9599997E-02
 C    2.853800     -0.6073000      9.0000004E-02
 C   -3.797500      -1.294900      0.7096000    
 C    3.797100      -1.295000     -0.7101000    
 C   -1.270000      -2.424500      0.2371000    
 C    1.267600      -2.425600     -0.2360000    
 C   -1.594000      -1.185400     -0.3160000    
 C    1.594200      -1.185700      0.3171000    
 C   -3.196900      0.6392000     -0.6388000    
 C    3.197500      0.6386000      0.6394000    
 C   -4.453000       1.199100     -0.4037000    
 C    4.453600       1.198400      0.4037000    
 C   -3.454200      -2.541100       1.258600    
 C    3.453100      -2.540900      -1.259400    
 C   -2.198400      -3.101200       1.022900    
 C    2.197400      -3.101000      -1.023100    
 C   -5.057100     -0.7163000      0.9358000    
 C    5.056600     -0.7165000     -0.9369000    
 C   -5.381300      0.5227000      0.3821000    
 C    5.381200      0.5222000     -0.3830000    
 H  -0.8808000     -0.6624000     -0.9503000    
 H   0.8817000     -0.6626000      0.9522000    
 H  -1.0000000E-03  -4.007500      9.9999997E-05
 H   -2.467800       1.171400      -1.246800    
 H    2.469000       1.170700       1.248000    
 H   -4.131600      -3.106300       1.892200    
 H    4.154600      -3.095400      -1.878800    
 H   -1.954900      -4.065100       1.462600    
 H    1.955500      -4.066400      -1.460700    
 H   -6.361100      0.9490000      0.5810000    
 H    6.358600      0.9563000     -0.5776000    
 H   -5.879300      -2.303600       1.666900    
 H    6.799300     -0.7914000      -1.743400    
 H   -3.434400       3.866100      0.2243000    
 H    3.434700       3.865700     -0.2226000    


%chk=000066594-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000066594

0 1
S -4.940062 2.924489 -0.733153
S 4.962538 2.940518 0.716468
O -6.316898 -1.649123 1.269698
O 6.199512 -1.763083 -1.289418
O -4.645180 3.692602 0.933154
O 4.525480 3.735682 -0.905240
O -3.821166 3.473212 -1.764464
O -6.514095 3.059850 -1.081309
O 3.935769 3.476893 1.845102
O 6.562350 3.065569 0.931316
N 0.010614 -3.019099 -0.008019
C -2.902993 -0.600777 -0.016126
C 2.903277 -0.580154 0.012282
C -3.936829 -1.444144 0.552921
C 3.933422 -1.419127 -0.561284
C -1.258254 -2.431150 0.168932
C 1.275922 -2.419255 -0.185022
C -1.581710 -1.114878 -0.201026
C 1.585311 -1.102001 0.196440
C -3.221464 0.743385 -0.400177
C 3.225271 0.765636 0.397590
C -4.524106 1.176456 -0.204959
C 4.525886 1.197478 0.196064
C -3.585396 -2.789784 0.898019
C 3.603588 -2.762718 -0.924263
C -2.292253 -3.268152 0.720946
C 2.312538 -3.247106 -0.746932
C -5.264770 -0.906251 0.726359
C 5.258533 -0.889387 -0.734541
C -5.569912 0.405985 0.349585
C 5.572399 0.422859 -0.362561
H -0.839619 -0.469305 -0.677498
H 0.838013 -0.466518 0.678448
H 0.015777 -4.040964 -0.015497
H -2.468259 1.400331 -0.845771
H 2.474247 1.422182 0.847583
H -4.328365 -3.480122 1.318818
H 4.383573 -3.397370 -1.352892
H -2.047224 -4.297012 1.011249
H 2.068887 -4.273774 -1.047319
H -6.581319 0.801147 0.469900
H 6.577075 0.846994 -0.466834
H -6.031074 -2.551973 1.552467
H 7.085019 -1.332072 -1.380993
H -4.893264 4.660715 0.866123
H 4.671613 4.721814 -0.807164


