%chk=000050826.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000050826

0 1
 O  -0.4531000       2.207700      0.4561000    
 O  -0.4364000       1.405000      -1.701300    
 N   -3.188600      0.1928000     -0.2325000    
 N    5.321200     -0.2275000      0.5865000    
 C   -2.727100      0.5301000       1.108600    
 C   -2.692100       2.044000       1.291300    
 C   -3.136400      -1.254400     -0.4473000    
 C   -1.771000       2.708000      0.2768000    
 C   -1.751200      -1.803800     -0.2327000    
 C   -4.548600      0.6893000     -0.4499000    
 C  -0.8694000      -1.871300      -1.302300    
 C   -1.375500      -2.235400       1.031800    
 C   0.4138000      -2.380700      -1.103600    
 C  -9.2200004E-02  -2.744800       1.230500    
 C   9.8399997E-02   1.575200     -0.6166000    
 C   0.8024000      -2.817400      0.1628000    
 C    1.469400       1.100600     -0.3011000    
 C    2.397600       1.018800      -1.318800    
 C    1.773300      0.7569000       1.000400    
 C    4.018000      0.2208000      0.2859000    
 C    3.686000      0.5740000      -1.022000    
 C    3.061700      0.3122000       1.297200    
 H   -3.372600      8.8900000E-02   1.879600    
 H   -1.708500      0.1920000       1.307900    
 H   -2.300300       2.241400       2.298300    
 H   -3.688000       2.497100       1.265700    
 H   -3.843800      -1.780500      0.2096000    
 H   -3.450200      -1.491500      -1.472800    
 H   -2.150300       2.608600     -0.7456000    
 H   -1.734300       3.782900      0.4870000    
 H   -4.935900      0.3275000      -1.410300    
 H   -5.243100      0.3619000      0.3325000    
 H   -4.584000       1.780100     -0.5257000    
 H   -1.160600      -1.531900      -2.292300    
 H   -2.065500      -2.200200       1.870200    
 H    1.111400      -2.434900      -1.934300    
 H   0.2099000      -3.086700       2.216000    
 H    1.802300      -3.212200      0.3178000    
 H    2.151700       1.293600      -2.340200    
 H    1.042800      0.8049000       1.802400    
 H    4.422700      0.5076000      -1.818600    
 H    3.307100      3.6200002E-02   2.319500    
 H    5.561300     -0.4865000       1.534100    
 H    6.014300     -0.2968000     -0.1467000    


%chk=000050826-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000050826

0 1
O -0.341345 1.987613 0.173728
O 0.263626 1.885070 -2.080334
N -3.588106 0.077083 0.046181
N 5.720706 -0.000745 0.922467
C -2.934477 0.743978 1.200330
C -2.630573 2.237976 0.950226
C -3.519177 -1.404564 0.131826
C -1.691778 2.468561 -0.234653
C -2.105293 -1.963524 0.003411
C -4.971410 0.540177 -0.187068
C -1.209000 -1.453635 -0.970092
C -1.683811 -3.039282 0.823304
C 0.081152 -2.007485 -1.118140
C -0.395245 -3.602682 0.671505
C 0.567749 1.736357 -0.865685
C 0.491904 -3.087190 -0.300758
C 1.887111 1.292898 -0.363169
C 2.921629 1.042595 -1.305303
C 2.159888 1.101989 1.018298
C 4.464380 0.422988 0.500653
C 4.190209 0.615886 -0.888189
C 3.424920 0.673732 1.447614
H -3.556999 0.649499 2.127933
H -1.979806 0.222668 1.392040
H -2.180504 2.666883 1.866018
H -3.565105 2.802483 0.764049
H -3.979624 -1.789759 1.078702
H -4.138487 -1.800658 -0.698490
H -2.020931 1.907468 -1.125589
H -1.604112 3.540613 -0.491943
H -5.378385 0.047989 -1.088426
H -5.659969 0.321927 0.669254
H -4.990086 1.628738 -0.365306
H -1.526691 -0.612245 -1.595704
H -2.366547 -3.436905 1.585451
H 0.766216 -1.593124 -1.866325
H -0.083844 -4.435060 1.313449
H 1.494539 -3.514608 -0.415698
H 2.703690 1.194420 -2.368024
H 1.364738 1.289456 1.745226
H 4.979110 0.430005 -1.627264
H 3.621140 0.527277 2.516838
H 5.921285 -0.136603 1.909163
H 6.463915 -0.176661 0.252396


