%chk=000044559.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000044559

0 1
 S    2.715100      0.1628000     -0.8430000    
 S   -2.795700      0.5758000     -0.7462000    
 S    5.134400       1.875100     -0.8105000    
 S   -5.326100       1.908300      2.9800000E-02
 N    5.134900     -0.7705000     -2.2100000E-02
 N   -5.072000     -0.8268000     -0.2456000    
 C    6.564500     -0.7441000      0.2969000    
 C    4.501300      -2.069000      0.2267000    
 C   -6.475900      -1.058900      0.1027000    
 C   -4.328800      -2.055800     -0.5400000    
 C    4.450600      0.3583000     -0.5149000    
 C   -4.509900      0.4643000     -0.2934000    
 C    2.063900      0.6356000      0.7769000    
 C   -2.059800      0.4550000      0.9063000    
 C   0.6015000      0.5709000      0.8196000    
 C  -0.5981000      0.5192000      0.8570000    
 H    7.014800      0.2458000      0.2298000    
 H    7.084800      -1.411400     -0.3974000    
 H    6.698600      -1.111400       1.319500    
 H    4.171400      -2.093400       1.269400    
 H    5.228900      -2.869900      6.0199998E-02
 H    3.651000      -2.256200     -0.4302000    
 H   -6.517700      -1.815700      0.8926000    
 H   -6.993100      -1.435200     -0.7853000    
 H   -6.995700     -0.1694000      0.4577000    
 H   -3.950700      -2.459400      0.4038000    
 H   -3.497500      -1.896800      -1.227400    
 H   -5.001100      -2.787200      -1.000500    
 H    2.484400     -2.9600000E-02   1.538000    
 H    2.389500       1.653600       1.013500    
 H   -2.373200     -0.4873000       1.367100    
 H   -2.440100       1.270300       1.530000    


%chk=000044559-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000044559

0 1
S 2.998578 -0.716636 0.768460
S -3.076253 -1.390266 0.736266
S 4.468063 1.604242 -0.736799
S -4.765807 1.185040 1.422335
N 5.620184 -0.729052 0.149499
N -5.443580 -0.762630 -0.387018
C 6.940807 -0.303839 -0.359067
C 5.567452 -2.050540 0.814005
C -6.730566 -0.090365 -0.667416
C -5.186923 -2.008246 -1.146497
C 4.508114 0.068460 0.017697
C -4.559849 -0.264092 0.536979
C 1.703824 0.642078 0.397271
C -2.001809 -0.385763 1.950998
C 0.412251 0.252559 0.947205
C -0.699596 -0.047069 1.394856
H 6.846945 0.699514 -0.800677
H 7.297134 -1.010832 -1.131524
H 7.672938 -0.272896 0.469213
H 5.282038 -1.951808 1.878073
H 6.564031 -2.514501 0.756319
H 4.837976 -2.716237 0.316696
H -7.562588 -0.805571 -0.531824
H -6.744022 0.289315 -1.706238
H -6.854854 0.754276 0.025869
H -5.244469 -2.898273 -0.492004
H -4.188124 -1.981956 -1.616765
H -5.946810 -2.099668 -1.938056
H 2.096737 1.574766 0.835135
H 1.681065 0.765652 -0.698120
H -1.917968 -1.001467 2.861297
H -2.620719 0.512806 2.174833


