%chk=000030699.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000030699

0 1
 S  -0.4078000       1.601600      -1.971800    
 S    5.260000     -0.4368000     -0.7075000    
 O    1.319300      0.7654000       2.262800    
 O   -4.684800      0.2719000     -0.5572000    
 O   -1.717400      0.1295000       2.931600    
 O   -1.541100      -1.818100       1.745700    
 O    3.990500       1.834600       1.000100    
 O   -6.111200      -1.544700     -0.5033000    
 N  -0.3533000       1.117700      0.6382000    
 N    2.338700       1.867900     -0.6308000    
 N    1.456600      -2.973300     -0.3408000    
 C  -0.1999000       2.224700     -0.2881000    
 C    1.251100       2.331600      0.2301000    
 C   0.8140000       1.287200       1.296500    
 C   -1.430300      0.2909000      0.6546000    
 C   -2.307200      0.2514000     -0.3767000    
 C   -2.117600       1.038800      -1.671400    
 C   -3.568700     -0.5781000     -0.3979000    
 C   -1.565400     -0.6056000       1.812400    
 C    3.634100       1.656400     -0.1636000    
 C    4.586600       1.159800      -1.224800    
 C   -5.911500     -0.3410000     -0.5951000    
 C    3.774400      -1.426700     -0.5641000    
 C   -6.996000      0.6790000     -0.7664000    
 C    2.956800      -1.623000      -1.671600    
 C    3.434600      -2.002900      0.6548000    
 C    1.819600      -2.397600      -1.508900    
 C    2.275900      -2.760500      0.7134000    
 H  -0.8279000       3.086000     -3.1199999E-02
 H    1.479400       3.312300      0.6641000    
 H   -2.779200       1.911800      -1.671000    
 H   -2.387600      0.4140000      -2.529400    
 H    2.150600       1.687400      -1.613800    
 H   -3.699200      -1.154500      0.5229000    
 H   -3.518600      -1.288600      -1.232600    
 H    5.402200       1.883700      -1.317100    
 H    4.107300       1.073700      -2.203800    
 H   -1.811400     -0.4309000       3.731300    
 H   -6.990000       1.370800      7.9599999E-02
 H   -7.966400      0.1755000     -0.7989000    
 H   -6.851500       1.218200      -1.706000    
 H    3.185700      -1.197300      -2.642900    
 H    4.044600      -1.872100       1.542500    
 H    1.148400      -2.580600      -2.341600    
 H    1.965200      -3.229500       1.641200    


%chk=000030699-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000030699

0 1
S -0.772807 1.113196 -1.598880
S 5.408561 0.163689 -0.712627
O 1.199449 -0.174296 2.223154
O -5.249841 0.519766 0.003026
O -1.416376 0.374721 3.669837
O -2.900356 -1.257852 2.942352
O 3.502882 3.250668 -0.169257
O -5.503375 -0.647495 -2.007300
N -0.677544 0.993088 1.168850
N 2.175146 1.359796 -0.478780
N 2.659832 -3.626453 -1.099545
C -0.326272 1.907178 0.059052
C 1.185311 1.774172 0.483824
C 0.678657 0.683573 1.494308
C -1.905358 0.316615 1.338975
C -2.816926 0.247023 0.304221
C -2.580726 0.866123 -1.065536
C -4.164045 -0.427157 0.435116
C -2.141570 -0.292040 2.684325
C 3.324746 2.119237 -0.705570
C 4.350264 1.473135 -1.628030
C -5.881609 0.252769 -1.224073
C 4.299435 -1.308863 -0.876314
C -7.056602 1.182111 -1.421276
C 4.296857 -2.077436 -2.064975
C 3.479932 -1.714617 0.202952
C 3.462799 -3.219094 -2.128261
C 2.681426 -2.874862 0.041211
H -0.788987 2.902808 0.124406
H 1.562155 2.689392 0.973700
H -3.076103 1.851489 -1.129483
H -3.026531 0.221450 -1.842905
H 2.089661 0.434096 -0.905639
H -4.408869 -0.706994 1.466770
H -4.212625 -1.319715 -0.218238
H 5.067624 2.239614 -1.954978
H 3.896038 0.981688 -2.504269
H -1.531659 -0.094998 4.539297
H -7.915917 0.814255 -0.831444
H -7.341764 1.203078 -2.483169
H -6.819511 2.196397 -1.062531
H 4.935827 -1.806610 -2.911294
H 3.444709 -1.150450 1.139243
H 3.436315 -3.840311 -3.030608
H 2.029344 -3.211884 0.853862


