%chk=000031656.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000031656

0 1
 O   -1.044700      -1.128000      1.8900000E-02
 N   -4.708900      -1.211900      0.3280000    
 C  -1.7300000E-02 -0.2386000      0.4112000    
 C    1.915300       1.393400       1.147800    
 C  -4.4599999E-02 -2.3100000E-02   1.953500    
 C    1.098000      0.9441000       2.388000    
 C    1.382000     -0.7736000      9.3699999E-02
 C  -0.1335000       1.157800     -0.2088000    
 C    2.420000      0.1112000      0.4942000    
 C   0.9112000       2.033300      0.1949000    
 C    1.691500      -1.977600     -0.5262000    
 C    3.752900     -0.2094000      0.2765000    
 C   -1.111700       1.598900      -1.090800    
 C   0.9703000       3.337300     -0.2772000    
 C    3.034200      -2.297700     -0.7419000    
 C   -2.332000     -0.6440000      0.3872000    
 C    4.055100      -1.422000     -0.3444000    
 C   -1.050000       2.912600      -1.562100    
 C  -1.9300001E-02   3.773900      -1.158700    
 C   -3.389700      -1.639500     -5.2999999E-02
 C    3.388100      -3.587500      -1.405000    
 C   -5.725500      -2.201700     -6.0300000E-02
 C   -5.041600      9.2299998E-02 -0.2656000    
 H    2.729100       2.073800       1.416300    
 H   4.9400002E-02 -0.9803000       2.483000    
 H  -0.9777000      0.4301000       2.306300    
 H   0.6684000       1.814900       2.899500    
 H    1.747300      0.4361000       3.112100    
 H   0.9055000      -2.659300     -0.8362000    
 H    4.548000      0.4638000      0.5795000    
 H   -1.847600      0.9496000      -1.550800    
 H    1.767900       4.007500      2.5800001E-02
 H   -2.404300     -0.6596000       1.481100    
 H   -2.570800      0.3663000      0.1006000    
 H    5.097300      -1.681100     -0.5160000    
 H   -1.790700       3.263500      -2.276200    
 H   1.3300000E-02   4.789100      -1.545300    
 H   -3.309100      -1.790900      -1.138400    
 H   -3.155700      -2.613100      0.3983000    
 H    4.306800      -3.489700      -1.993300    
 H    3.534000      -4.368600     -0.6524000    
 H    2.599600      -3.907700      -2.094700    
 H   -5.774100      -2.335500      -1.147000    
 H   -6.715300      -1.899300      0.2992000    
 H   -5.508700      -3.172700      0.3990000    
 H   -4.517400      0.9139000      0.2311000    
 H   -6.105900      0.3163000     -0.1218000    
 H   -4.838600      0.1248000      -1.342200    


%chk=000031656-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000031656

0 1
O -1.053379 -0.938437 0.016146
N -4.755239 -1.439439 0.204774
C 0.003782 -0.037035 0.467965
C 2.039329 1.491527 1.135362
C 0.007141 0.208770 2.028905
C 1.220885 1.111249 2.426373
C 1.362119 -0.659399 0.135637
C -0.026770 1.347268 -0.200701
C 2.458854 0.170288 0.494962
C 1.065139 2.175257 0.180633
C 1.567184 -1.920107 -0.445143
C 3.770568 -0.281056 0.267321
C -0.979046 1.806826 -1.129249
C 1.180485 3.477633 -0.341524
C 2.890352 -2.382651 -0.690075
C -2.395432 -0.714293 0.583406
C 3.980025 -1.551759 -0.326227
C -0.858515 3.115743 -1.658644
C 0.210478 3.951448 -1.259976
C -3.364908 -1.513219 -0.301030
C 3.123683 -3.737605 -1.337836
C -5.580417 -2.583681 -0.232295
C -5.412525 -0.148905 -0.088152
H 2.902259 2.131055 1.387971
H 0.061104 -0.775038 2.528466
H -0.940835 0.691566 2.323633
H 0.873526 2.035203 2.922431
H 1.886689 0.578863 3.128516
H 0.699588 -2.533515 -0.708028
H 4.627002 0.346297 0.541983
H -1.784210 1.143441 -1.461528
H 2.023444 4.115534 -0.050146
H -2.451223 -1.091609 1.622661
H -2.641822 0.366472 0.585887
H 5.003567 -1.900155 -0.511340
H -1.592294 3.478907 -2.387280
H 0.297832 4.962139 -1.674598
H -3.271902 -1.160179 -1.359294
H -3.039535 -2.569391 -0.285743
H 4.199822 -3.974211 -1.404586
H 2.633296 -4.547897 -0.766230
H 2.708246 -3.768403 -2.363108
H -5.738543 -2.623974 -1.340376
H -6.573842 -2.528357 0.248794
H -5.103291 -3.529182 0.080304
H -4.827605 0.688021 0.330273
H -6.411020 -0.127827 0.383793
H -5.543542 0.035917 -1.185689


