%chk=000045368.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000045368

0 1
 S   0.5245000       1.454900     -0.1943000    
 N   -3.172800     -0.2280000     -0.1057000    
 C   -2.145100      0.8125000     -0.1209000    
 C   -4.506600      0.3714000     -8.9599997E-02
 C   -2.993400      -1.106900       1.049300    
 C  -0.7630000      0.1737000     -0.1754000    
 C   -4.717600       1.287400      -1.277400    
 C   -4.009500      -2.230300       1.054800    
 C    2.011400      0.4616000     -0.2581000    
 C    2.982100      0.5312000      0.7407000    
 C    2.185800     -0.3977000      -1.342700    
 C    4.128100     -0.2594000      0.6549000    
 C    2.841400       1.437000       1.922400    
 C    3.331700      -1.188300      -1.428300    
 C    4.302900      -1.119200     -0.4296000    
 H   -2.234900       1.465300      0.7580000    
 H   -2.236600       1.438000      -1.015400    
 H   -5.275700     -0.4036000     -0.1732000    
 H   -4.695500      0.9245000      0.8393000    
 H   -2.031800      -1.624700       1.012000    
 H   -3.039400     -0.5565000       1.997400    
 H  -0.6735000     -0.4616000      -1.062600    
 H  -0.5338000     -0.4220000      0.7100000    
 H   -4.198200       2.244500      -1.167600    
 H   -4.406300      0.8171000      -2.216600    
 H   -5.783600       1.524600      -1.372200    
 H   -5.008300      -1.890500       1.345500    
 H   -4.073100      -2.726600      8.0200002E-02
 H   -3.715300      -2.990400       1.787800    
 H    1.451200     -0.4628000      -2.141400    
 H    4.896200     -0.2195000       1.422900    
 H    3.697200       1.355800       2.602100    
 H    2.785400       2.483000       1.603500    
 H    1.948500       1.180500       2.502100    
 H    3.469500      -1.855700      -2.274000    
 H    5.195400      -1.734300     -0.4969000    


%chk=000045368-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000045368

0 1
S 0.543365 1.068419 0.944890
N -3.334255 -0.206391 0.219765
C -2.205374 0.627256 0.703157
C -4.544758 0.582072 -0.134181
C -3.617888 -1.362287 1.113787
C -0.869503 0.053631 0.194164
C -4.393168 1.345556 -1.463763
C -4.275750 -2.546034 0.379571
C 2.036180 0.255400 0.238740
C 3.301130 0.790172 0.631042
C 1.966159 -0.844415 -0.649189
C 4.470840 0.186863 0.108465
C 3.395400 1.970493 1.578825
C 3.149720 -1.427080 -1.155407
C 4.408686 -0.913139 -0.777508
H -2.187353 0.702555 1.817159
H -2.322850 1.655601 0.317563
H -5.388375 -0.125148 -0.230453
H -4.821514 1.294721 0.683557
H -2.654445 -1.703900 1.536814
H -4.251350 -1.056396 1.984888
H -0.824365 0.121655 -0.904665
H -0.745801 -0.997997 0.504811
H -3.572688 2.085481 -1.425389
H -4.175062 0.638701 -2.283040
H -5.324005 1.892766 -1.703767
H -5.259592 -2.274895 -0.044184
H -3.630558 -2.883446 -0.450159
H -4.433710 -3.391451 1.075007
H 1.000575 -1.256141 -0.956066
H 5.445647 0.592237 0.405975
H 4.447202 2.241248 1.771500
H 2.880583 2.860106 1.167136
H 2.912971 1.747180 2.550043
H 3.081052 -2.278301 -1.842084
H 5.330153 -1.360091 -1.166003


