%chk=000051917.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000051917

0 1
 O  -5.7999998E-02   2.234100       1.436000    
 N    1.178900     -6.1700001E-02  3.9400000E-02
 N   0.2768000       3.117900     -0.6564000    
 C    1.235600      -1.371300     -0.6251000    
 C    2.432100      0.6831000     -0.1468000    
 C    2.388900      -2.216200     -8.1900001E-02
 C    3.624600     -9.4599999E-02  0.4123000    
 C    3.720100      -1.483900     -0.2076000    
 C   4.3400001E-02  0.7151000     -0.4572000    
 C   -1.283000      2.5900001E-02 -0.2123000    
 C   8.3300002E-02   2.075500      0.2251000    
 C   -1.423100     -0.7934000      0.8936000    
 C   -2.324000      0.2322000      -1.099900    
 C   -2.644600      -1.427900       1.119200    
 C   -3.545600     -0.4023000     -0.8740000    
 C   -3.705700      -1.232400      0.2356000    
 H    1.367500      -1.243700      -1.708700    
 H   0.3304000      -1.970100     -0.4943000    
 H    2.431100       1.637800      0.3893000    
 H    2.604300      0.9026000      -1.209100    
 H    2.440300      -3.166500     -0.6255000    
 H    2.201900      -2.459400      0.9718000    
 H    3.526100     -0.1865000       1.501600    
 H    4.551100      0.4586000      0.2206000    
 H    4.514100      -2.060000      0.2799000    
 H    3.990200      -1.394300      -1.267000    
 H   0.1586000      0.8497000      -1.542800    
 H  -0.6282000     -0.9443000       1.617800    
 H   -2.209500      0.8783000      -1.965200    
 H   0.3898000       2.979900      -1.655400    
 H   0.3176000       4.076000     -0.3251000    
 H   -2.771800      -2.068800       1.986800    
 H   -4.372300     -0.2493000      -1.561500    
 H   -4.657400      -1.725000      0.4124000    


%chk=000051917-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000051917

0 1
O 0.328982 2.192944 1.558785
N 1.276107 -0.080976 -0.052105
N -0.204665 3.209598 -0.454732
C 1.314662 -1.374162 -0.785290
C 2.584276 0.623225 -0.133393
C 2.406476 -2.301550 -0.215283
C 3.713919 -0.244989 0.456377
C 3.790276 -1.615140 -0.252690
C 0.135366 0.762604 -0.476049
C -1.212070 0.073191 -0.234602
C 0.116990 2.105238 0.317319
C -1.512236 -0.445150 1.050791
C -2.176830 -0.021646 -1.265364
C -2.761771 -1.053809 1.294363
C -3.430158 -0.629717 -1.020896
C -3.725549 -1.147157 0.260924
H 1.510702 -1.205429 -1.879160
H 0.326510 -1.857844 -0.699722
H 2.512695 1.566103 0.434229
H 2.833962 0.877985 -1.199131
H 2.419994 -3.245180 -0.794308
H 2.145519 -2.553492 0.830697
H 3.513590 -0.393920 1.534542
H 4.674496 0.297928 0.365355
H 4.556572 -2.256971 0.221740
H 4.099444 -1.467469 -1.308759
H 0.202666 1.018887 -1.570507
H -0.756636 -0.358260 1.838398
H -1.944878 0.367740 -2.265361
H -0.380593 3.136379 -1.455222
H -0.321218 4.110773 0.008385
H -2.988532 -1.451267 2.290223
H -4.168931 -0.703784 -1.827058
H -4.695636 -1.619581 0.453105


