%chk=000106494.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000106494

1 1
 O   -2.358000       1.399200     -0.3064000    
 O    2.664500     -0.8793000     -0.2855000    
 N   -2.110300      -1.403000     -0.2411000    
 N    2.390600       1.898100     -0.3499000    
 N    3.267200       2.547400     -0.3713000    
 C  -0.9765000     -0.5621000     -0.2685000    
 C   -1.121900      0.8249000     -0.3005000    
 C   0.2976000      -1.129700     -0.2634000    
 C    1.426300     -0.3106000     -0.2906000    
 C   6.8999999E-03   1.644000     -0.3274000    
 C    1.281000       1.076300     -0.3227000    
 C   -2.017100      -2.829000     -0.2080000    
 C   -2.670500       2.274200      0.7752000    
 C   -3.403600      -3.442000     -0.1619000    
 C    2.995600      -1.700400      0.8326000    
 C   -4.162700       2.233400       1.027200    
 C    4.490800      -1.641300       1.062100    
 H   0.4429000      -2.205800     -0.2501000    
 H   -3.019200     -0.9530000     -0.2446000    
 H  -9.8700002E-02   2.725600     -0.3612000    
 H   -1.502100      -3.205300      -1.099500    
 H   -1.465500      -3.162400      0.6788000    
 H   -2.142500       1.974300       1.689000    
 H   -2.366300       3.292300      0.5091000    
 H   -3.951300      -3.110800      0.7270000    
 H   -3.990200      -3.156000      -1.041600    
 H   -3.338300      -4.534200     -0.1355000    
 H    2.478100      -1.359600       1.738100    
 H    2.693300      -2.731400      0.6193000    
 H   -4.439700       2.903300       1.846000    
 H   -4.714000       2.527500      0.1280000    
 H   -4.482900       1.216800       1.278300    
 H    4.782000      -2.270500       1.907800    
 H    5.031500      -1.975400      0.1705000    
 H    4.809400     -0.6126000       1.260400    


%chk=000106494-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000106494

1 1
O -2.539799 1.101450 0.270413
O 2.829991 -0.520254 0.379674
N -1.993637 -1.458976 0.163778
N 2.251921 2.064436 0.482445
N 3.177784 2.777410 0.547034
C -0.919293 -0.634489 0.241822
C -1.186712 0.805033 0.302349
C 0.427498 -1.108726 0.265670
C 1.496295 -0.206792 0.347094
C -0.144222 1.713227 0.381839
C 1.207571 1.213521 0.405075
C -1.947131 -2.934531 0.090684
C -2.965744 2.532341 0.325066
C -3.367119 -3.516576 0.021841
C 3.253119 -1.960125 0.324451
C -4.487195 2.554463 0.271068
C 4.774066 -1.974724 0.376008
H 0.619694 -2.181378 0.218930
H -2.912750 -1.000324 0.152806
H -0.316072 2.790612 0.425771
H -1.367115 -3.235784 -0.804642
H -1.416463 -3.326202 0.981406
H -2.580737 2.969817 1.267355
H -2.514894 3.058328 -0.539496
H -3.954928 -3.256116 0.919964
H -3.906820 -3.159855 -0.873422
H -3.316799 -4.616363 -0.036021
H 2.801962 -2.479993 1.191458
H 2.864653 -2.392872 -0.617478
H -4.839450 3.600773 0.301213
H -4.858990 2.096147 -0.660542
H -4.924532 2.021670 1.131811
H 5.130201 -3.019317 0.330522
H 5.206286 -1.427458 -0.477838
H 5.145758 -1.525472 1.311592


