%chk=000085953.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000085953

1 1
 S    1.378100      -1.128500     -8.3999997E-03
 N   -1.820100      0.5762000     -0.2539000    
 N    2.698600       1.147900      0.4861000    
 C   -1.057300      0.5191000      0.8382000    
 C   -3.036700      3.1000001E-03 -0.3181000    
 C   -1.293800       1.299900      -1.426500    
 C   -3.529400     -0.6864000      0.8120000    
 C    1.421100      0.5848000      0.5008000    
 C   0.2616000       1.167900      0.8433000    
 C    3.674200      0.2222000      6.8700001E-02
 C   -1.478700     -0.1385000       1.974500    
 C    3.153100      -1.054400     -0.2406000    
 C   -2.728900     -0.7476000       1.960700    
 C   -3.802600      8.8299997E-02  -1.485000    
 C   -4.798500      -1.282000      0.7420000    
 C   -1.708300       2.755800      -1.348700    
 C    3.084300       2.500700      0.8386000    
 C    5.042700      0.4396000     -6.1400000E-02
 C    3.962300      -2.097100     -0.6701000    
 C   -5.061100     -0.5096000      -1.536300    
 C   -5.557900      -1.192500     -0.4266000    
 C    5.866700     -0.6053000     -0.4935000    
 C    5.330500      -1.863600     -0.7956000    
 H  -0.2061000       1.227200      -1.482500    
 H   -1.597800      0.8198000      -2.358500    
 H   0.2368000       2.206800       1.158800    
 H  -0.8653000     -0.1893000       2.868900    
 H   -3.074100      -1.269200       2.850300    
 H   -3.508800      0.6253000      -2.378200    
 H   -5.205700      -1.819300       1.595500    
 H   -2.797100       2.865000      -1.350900    
 H   -1.314600       3.304700      -2.209900    
 H   -1.332900       3.240200     -0.4427000    
 H    3.788200       2.496500       1.678400    
 H    2.230600       3.114200       1.140300    
 H    3.553800       3.004400     -1.3900000E-02
 H    5.489300       1.402900      0.1645000    
 H    3.551200      -3.073500     -0.9050000    
 H   -5.660500     -0.4377000      -2.439500    
 H   -6.539700      -1.655200     -0.4704000    
 H    6.935800     -0.4391000     -0.5963000    
 H    5.987100      -2.662200      -1.129700    


%chk=000085953-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000085953

1 1
S 1.958577 -1.662189 0.282712
N -2.036508 0.663910 -0.637738
N 2.811112 0.835038 0.092338
C -0.926300 0.102161 0.007930
C -3.357348 0.193220 -0.420236
C -1.834313 1.782364 -1.612068
C -3.561172 -0.971509 0.401984
C 1.622668 0.116623 0.080870
C 0.366451 0.701765 -0.151097
C 4.002202 0.066366 0.203528
C -1.154820 -1.048350 0.845636
C 3.745422 -1.321741 0.342168
C -2.418779 -1.576746 1.025348
C -4.491546 0.831428 -0.999671
C -4.879785 -1.477343 0.600363
C -1.951743 3.179362 -0.969837
C 2.824798 2.308421 0.016906
C 5.333765 0.538446 0.194885
C 4.777547 -2.260730 0.492583
C -5.777989 0.309734 -0.787035
C -5.982147 -0.851216 0.009089
C 6.377672 -0.399727 0.342690
C 6.108591 -1.783129 0.492822
H -0.846420 1.638668 -2.079201
H -2.571094 1.659438 -2.421358
H 0.401515 1.737794 -0.492869
H -0.308908 -1.468969 1.391330
H -2.565189 -2.443980 1.677786
H -4.394188 1.736419 -1.601898
H -5.012563 -2.365507 1.227633
H -2.951385 3.341796 -0.532397
H -1.784666 3.955991 -1.736494
H -1.210435 3.326393 -0.164751
H 3.789772 2.682734 0.385393
H 2.033024 2.723671 0.661829
H 2.679644 2.657627 -1.021493
H 5.568804 1.598626 0.067830
H 4.566628 -3.328329 0.601613
H -6.637476 0.813916 -1.240270
H -6.992369 -1.241594 0.160792
H 7.413933 -0.048522 0.337217
H 6.935119 -2.490830 0.604540


