%chk=000023637.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000023637

0 1
 N    1.169100      -3.022700      0.3689000    
 C   0.3521000      -1.139200     -8.7800004E-02
 C   0.8011000      -1.848600       1.197500    
 C   0.1942000      -2.559600     -0.6488000    
 C    1.481500     -0.3668000     -0.7567000    
 C  -0.8864000     -0.2389000     -2.7400000E-02
 C    1.824900      0.8786000      5.9200000E-02
 C    2.983600       1.653300     -0.5666000    
 C   -1.223200      0.4364000       1.156600    
 C   -1.706600     -7.3899999E-02  -1.154900    
 C   -2.351200       1.255100       1.211800    
 C   -2.834500      0.7449000      -1.099700    
 C    3.352000       2.872100      0.2643000    
 C   -3.156700       1.409500      8.3700001E-02
 H    1.636500      -1.425800       1.762100    
 H   2.3000001E-03  -2.082500       1.913400    
 H  -0.7996000      -3.007200     -0.5210000    
 H   0.5085000      -2.717900      -1.685300    
 H    1.200400     -7.4800000E-02  -1.777400    
 H    2.386400     -0.9787000     -0.8629000    
 H    2.135600      -3.002600      4.3600000E-02
 H   0.9741000       1.565000      0.1127000    
 H    2.088200      0.6141000       1.088700    
 H    2.713900       1.974500      -1.579400    
 H    3.862000       1.003400     -0.6549000    
 H  -0.6075000      0.3389000       2.046800    
 H   -1.468100     -0.5833000      -2.085300    
 H    3.660000       2.581000       1.273600    
 H    2.505100       3.560600      0.3483000    
 H    4.182800       3.411100     -0.2018000    
 H   -2.601100       1.774200       2.132500    
 H   -3.461400      0.8658000      -1.978200    
 H   -4.034500       2.047600      0.1264000    


%chk=000023637-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000023637

0 1
N 0.480872 -3.189378 0.543662
C 0.387428 -1.101880 -0.097150
C 0.849445 -1.881544 1.196901
C 0.225112 -2.519523 -0.781973
C 1.517226 -0.248536 -0.742059
C -0.904432 -0.293012 0.011684
C 1.925410 1.003588 0.064861
C 3.097252 1.775170 -0.585083
C -1.287236 0.365038 1.208242
C -1.728186 -0.130247 -1.133904
C -2.461938 1.149839 1.264014
C -2.901969 0.653269 -1.084165
C 3.490772 3.042711 0.203747
C -3.276071 1.297226 0.118308
H 1.931192 -1.748200 1.410223
H 0.277805 -1.688837 2.121636
H -0.775222 -2.742656 -1.193501
H 0.989774 -2.709148 -1.565254
H 1.192018 0.060972 -1.757348
H 2.407796 -0.897351 -0.878376
H 1.188151 -3.935846 0.561562
H 1.054366 1.679409 0.169247
H 2.214660 0.703930 1.094659
H 2.816213 2.055916 -1.620916
H 3.976385 1.103996 -0.672839
H -0.667203 0.265784 2.106430
H -1.451192 -0.624036 -2.073744
H 3.802642 2.787987 1.234413
H 2.637498 3.743033 0.275743
H 4.328426 3.578080 -0.280126
H -2.740321 1.645169 2.201435
H -3.524947 0.759721 -1.979815
H -4.188225 1.902956 0.161485


