%chk=000094968.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000094968

0 1
 N    2.870700      0.2133000      0.2892000    
 N    3.424900       1.387200     -7.3000002E-03
 N    4.712800     -0.2955000     -0.7001000    
 N    3.284500      -2.092200      6.4599998E-02
 N    4.560800       1.070100     -0.6168000    
 C   -2.135400      0.1354000     -0.2047000    
 C  -0.9612000      0.1606000      0.7771000    
 C   -3.503900      0.1256000      0.4825000    
 C   0.3792000      0.1477000      3.5200000E-02
 C   -4.676200      2.6900001E-02 -0.4960000    
 C    1.586100      0.1658000      0.9769000    
 C   -6.011100     -5.1300000E-02  0.2462000    
 C   -7.178000     -0.1871000     -0.7189000    
 C    3.646800     -0.8063000     -0.1281000    
 H   -2.074700       1.006900     -0.8681000    
 H   -2.050500     -0.7538000     -0.8420000    
 H   -1.026300       1.056800       1.405400    
 H   -1.019200     -0.7084000       1.443200    
 H   -3.609600       1.035000       1.086900    
 H   -3.544300     -0.7224000       1.177700    
 H   0.4310000       1.014600     -0.6359000    
 H   0.4346000     -0.7418000     -0.6052000    
 H   -4.671700      0.8968000      -1.163700    
 H   -4.553300     -0.8638000      -1.124100    
 H    1.585500     -0.7097000       1.634800    
 H    1.544700       1.048600       1.627100    
 H   -6.009400     -0.9097000      0.9280000    
 H   -6.150200      0.8482000      0.8570000    
 H   -8.121900     -0.2396000     -0.1674000    
 H   -7.085300      -1.096500      -1.321100    
 H   -7.227800      0.6708000      -1.397000    
 H    3.873300      -2.857100     -0.2494000    
 H    2.414900      -2.368000      0.5087000    


%chk=000094968-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000094968

0 1
N 2.909236 0.240368 0.389940
N 3.636086 1.450408 0.152048
N 4.792363 -0.322445 -0.682503
N 3.275251 -2.127088 -0.098426
N 4.752887 1.072355 -0.485345
C -2.140317 0.045173 -0.208233
C -0.946971 0.163858 0.766765
C -3.511383 0.067266 0.504249
C 0.419628 0.134758 0.047500
C -4.706311 -0.045935 -0.469274
C 1.595868 0.265505 1.042222
C -6.078277 -0.026426 0.242834
C -7.266517 -0.136484 -0.737048
C 3.634132 -0.803237 -0.131443
H -2.095297 0.874694 -0.943618
H -2.046433 -0.894027 -0.792713
H -1.039522 1.107825 1.342790
H -0.998283 -0.661029 1.508733
H -3.605142 1.005522 1.090144
H -3.557958 -0.764043 1.238828
H 0.481533 0.964747 -0.681679
H 0.514063 -0.804918 -0.534310
H -4.663595 0.786827 -1.202009
H -4.614304 -0.982704 -1.058233
H 1.555562 -0.539746 1.803294
H 1.534326 1.227723 1.577986
H -6.121296 -0.859450 0.974099
H -6.169311 0.909046 0.831906
H -8.234920 -0.117236 -0.204202
H -7.217808 -1.078374 -1.315677
H -7.261794 0.700931 -1.460068
H 3.922160 -2.800188 -0.499477
H 2.392146 -2.446576 0.285620


