%chk=000005315.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000005315

0 1
 S    3.111800     -0.8492000     -0.6719000    
 S    6.134000      0.5234000       1.907700    
 O    3.578200      -2.227900     -0.5936000    
 O    3.368700     -7.2300002E-02  -1.878400    
 O   -3.439100       1.182800     -0.7786000    
 O   -8.367900       1.495100     -0.1132000    
 O   -7.767500     -0.4015000      0.9861000    
 N   -2.738200     -0.7825000      0.3036000    
 N    3.687700      7.3000002E-03  0.7029000    
 N    5.465200       1.113000     -0.5187000    
 C    1.389800     -0.8296000     -0.3849000    
 C   -1.342700     -0.7986000      7.0699997E-02
 C   0.7917000      -1.860800      0.3394000    
 C   0.6120000      0.2170000     -0.8802000    
 C  -0.5842000      -1.845200      0.5689000    
 C  -0.7639000      0.2325000     -0.6510000    
 C   -5.066600     -0.1653000      0.3361000    
 C   -3.655300      0.1737000     -0.1137000    
 C   -6.059400      0.8924000     -0.1293000    
 C    5.051800      0.5678000      0.5909000    
 C   -7.466800      0.5744000      0.3112000    
 C    7.297100       1.310600      0.9233000    
 C    6.763600       1.543100     -0.3270000    
 H    1.379200      -2.682200      0.7399000    
 H    1.058600       1.033800      -1.440400    
 H   -1.039900      -2.652400       1.135700    
 H   -1.296600       1.076600      -1.063100    
 H   -5.336000      -1.147700     -7.0299998E-02
 H   -5.074300     -0.2420000       1.430100    
 H   -3.096500      -1.568100      0.8427000    
 H    3.539100     -0.4458000       1.614400    
 H   -6.053900      0.9581000      -1.223400    
 H   -5.789000       1.871400      0.2827000    
 H    8.281800       1.557900       1.293200    
 H    7.284500       2.026700      -1.142400    
 H   -9.278000       1.280300      0.1832000    


%chk=000005315-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000005315

0 1
S 3.358684 -1.875280 -0.483555
S 6.577703 0.724670 0.906470
O 3.626661 -3.442280 -0.118408
O 3.866410 -1.205730 -1.875037
O -2.919488 1.316667 -0.604632
O -7.998291 1.879938 -0.608768
O -7.311605 1.115897 1.472895
N -2.576030 -0.841048 0.256683
N 4.190844 -0.866073 1.091880
N 4.031341 1.401985 0.326630
C 1.538411 -1.516406 -0.250698
C -1.180680 -1.021255 0.067855
C 0.751474 -2.513135 0.349795
C 1.028445 -0.283060 -0.687024
C -0.622402 -2.257234 0.501539
C -0.349005 -0.031982 -0.529244
C -4.834277 0.120247 0.370103
C -3.368086 0.269879 -0.054756
C -5.750646 1.045144 -0.447625
C 4.729410 0.357491 0.777861
C -7.058005 1.320682 0.264204
C 6.187342 2.378443 0.360541
C 4.829872 2.510021 0.084524
H 1.200059 -3.458816 0.668729
H 1.688066 0.468074 -1.131050
H -1.263460 -3.019868 0.960305
H -0.786687 0.912755 -0.854294
H -5.166404 -0.932318 0.290397
H -4.920895 0.393421 1.441015
H -3.064776 -1.626211 0.694878
H 4.846066 -1.566569 1.481287
H -5.961567 0.643469 -1.453653
H -5.229786 2.009433 -0.612950
H 6.960872 3.141738 0.309588
H 4.362457 3.426962 -0.276214
H -8.833024 2.087148 -0.106673


