%chk=000052096.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000052096

0 1
 O  -0.7842000       1.555600      -1.373000    
 N  -0.1037000     -0.6169000     -0.9327000    
 N    3.410600       1.722300      0.5604000    
 C    2.245800     -8.3099999E-02 -0.5182000    
 C    1.209600     -0.5047000      -1.525800    
 C    2.953200      -1.014000      0.2187000    
 C    2.498600       1.256800     -0.3223000    
 C    3.900000     -0.5739000       1.137000    
 C    2.725600      -2.480100      5.2999999E-02
 C   -1.027900      0.4336000     -0.8939000    
 C   -2.299500      0.1707000     -0.2395000    
 C    4.089500      0.7923000       1.268900    
 C   -3.016500       1.218700      0.3380000    
 C   -2.802600      -1.129400     -0.1896000    
 C   -4.236400      0.9666000      0.9656000    
 C   -4.022700      -1.381300      0.4379000    
 C   -4.739500     -0.3332000       1.015500    
 H    1.171600      0.2233000      -2.345700    
 H    1.451900      -1.465800      -1.989500    
 H  -0.3120000      -1.493500     -0.4669000    
 H    1.973500       2.027700     -0.8764000    
 H    4.480700      -1.265400       1.738000    
 H    3.047300      -2.809700     -0.9402000    
 H    3.295200      -3.060800      0.7874000    
 H    1.671000      -2.733400      0.2009000    
 H    4.816400       1.187100       1.971100    
 H   -2.640100       2.238000      0.3138000    
 H   -2.293300      -1.969100     -0.6531000    
 H   -4.794500       1.782300       1.416000    
 H   -4.418600      -2.392200      0.4709000    
 H   -5.690200     -0.5293000       1.502800    


%chk=000052096-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000052096

0 1
O -1.038520 0.553654 -2.097037
N -0.280085 -0.733946 -0.317274
N 2.983872 0.908107 1.861077
C 2.196981 -0.509329 0.004724
C 1.049563 -0.939205 -0.902529
C 3.506711 -1.051230 -0.169282
C 2.003627 0.459743 1.021188
C 4.524396 -0.589356 0.700479
C 3.814752 -2.075352 -1.245535
C -1.263341 -0.005228 -0.976015
C -2.599730 0.105730 -0.286218
C 4.227936 0.373751 1.690196
C -3.468609 1.138566 -0.722617
C -3.030509 -0.771266 0.744252
C -4.734557 1.308181 -0.125896
C -4.300454 -0.603794 1.338722
C -5.153126 0.439778 0.910010
H 1.051864 -0.354334 -1.843946
H 1.173493 -2.003015 -1.187843
H -0.463927 -1.110653 0.613013
H 1.015032 0.909783 1.166233
H 5.545330 -0.975462 0.606016
H 3.541001 -1.705470 -2.251181
H 4.889142 -2.323419 -1.257395
H 3.254128 -3.016737 -1.085274
H 5.005588 0.740179 2.369974
H -3.126726 1.788952 -1.534218
H -2.405523 -1.611791 1.070861
H -5.394778 2.113077 -0.466647
H -4.627266 -1.289741 2.127828
H -6.137467 0.569028 1.373433


