%chk=000040570.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000040570

0 1
 O   -2.975400     -0.1268000      0.3274000    
 O   -1.402800      -2.400400      0.1696000    
 O   -1.778000       2.370400      0.3467000    
 O    4.675600     -0.3140000     -0.5995000    
 N    3.306100     -0.5852000     -0.5995000    
 C    1.159400      0.2062000      0.1218000    
 C   -1.618000     -1.7300000E-02  0.2606000    
 C  -0.8289000      -1.164800      0.1808000    
 C   -1.018300       1.242200      0.2710000    
 C   0.5598000      -1.053100      0.1114000    
 C   0.3704000       1.353900      0.2016000    
 C    2.607400      0.3227000      4.9100000E-02
 C    3.299100       1.513500      0.7216000    
 C   -3.626600     -0.7743000     -0.7631000    
 C  -0.5255000      -3.521600      8.5900001E-02
 C   -2.204400       2.948500     -0.8854000    
 H    1.214300      -1.916200      5.9099998E-02
 H   0.8121000       2.346800      0.1879000    
 H    4.186000       1.174200       1.265300    
 H    3.596500       2.235300     -4.4199999E-02
 H    2.650200       2.003000       1.451800    
 H   -3.796900      -1.828100     -0.5259000    
 H   -3.062400     -0.6796000      -1.697600    
 H   -4.601200     -0.2976000     -0.9041000    
 H   0.1269000      -3.590900      0.9631000    
 H   3.5300002E-02  -3.527000     -0.8549000    
 H   -1.151600      -4.420000      8.5800000E-02
 H   -2.821200       2.243200      -1.450800    
 H   -1.340600       3.255500      -1.483800    
 H   -2.804900       3.833700     -0.6587000    
 H    5.023600      -1.066000      -1.107800    


%chk=000040570-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000040570

0 1
O -2.902373 0.035745 0.039974
O -1.415596 -2.310385 -0.103551
O -1.461176 2.591986 0.112973
O 4.940477 -0.669750 0.223459
N 3.486863 -0.849644 0.127830
C 1.359502 0.224130 0.108467
C -1.497717 0.083581 -0.038459
C -0.693340 -1.103990 -0.055118
C -0.836577 1.339745 0.045157
C 0.707962 -1.038868 0.007677
C 0.577515 1.398059 0.126969
C 2.844645 0.307607 0.194008
C 3.523238 1.652629 0.347696
C -3.619606 -0.636994 -1.065331
C -0.648287 -3.555301 -0.010493
C -2.792991 2.803834 -0.479695
H 1.325298 -1.939411 -0.000832
H 1.026269 2.391994 0.193631
H 4.612601 1.530068 0.425362
H 3.299707 2.300533 -0.519728
H 3.154862 2.169693 1.252068
H -3.319493 -1.694689 -1.134362
H -3.421963 -0.119802 -2.025653
H -4.686312 -0.553468 -0.806144
H -0.068808 -3.595478 0.931315
H 0.036959 -3.671772 -0.872110
H -1.401454 -4.357136 -0.021059
H -3.579120 2.328404 0.126474
H -2.834635 2.410851 -1.514190
H -2.913971 3.898656 -0.493496
H 5.263520 -1.604626 0.162360


