%chk=000109032.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000109032

0 1
 O    2.502900      -1.919300      0.5946000    
 O   -4.067700      0.6190000      0.1621000    
 N    2.575100      0.2542000     -0.2999000    
 N   -2.148100     -0.7108000     -0.1177000    
 N    4.479300      -1.053700     -0.2352000    
 N   -4.252500      -1.670200     -0.1012000    
 C    1.260000      0.7055000     -0.1622000    
 C   0.9843000       2.060800      1.8900000E-02
 C   -1.103500      0.2129000     -7.1999997E-02
 C   0.2160000     -0.2186000     -0.2076000    
 C  -0.3351000       2.492300      0.1546000    
 C   -1.379000       1.568300      0.1091000    
 C    2.082500       3.073000      7.1500003E-02
 C    3.116100     -0.9919000      7.1400002E-02
 C   -3.533000     -0.4749000     -2.4999999E-03
 C    5.296300      -2.214300      3.4499999E-02
 C   -5.693600      -1.732100     -1.8400000E-02
 H   0.4018000      -1.274800     -0.3806000    
 H  -0.5666000       3.544800      0.2957000    
 H   -2.372400       1.978900      0.2216000    
 H    2.800900       2.824000      0.8597000    
 H    2.600200       3.127200     -0.8918000    
 H    1.700000       4.075600      0.2928000    
 H    3.270000      0.9667000     -0.5052000    
 H   -1.872400      -1.680600     -0.2510000    
 H    4.907200     -0.2669000     -0.7130000    
 H   -3.745600      -2.531000     -0.2814000    
 H    6.326500      -1.885100      0.1885000    
 H    5.246600      -2.878400     -0.8319000    
 H    4.933700      -2.740300      0.9211000    
 H   -5.976600      -2.711200      0.3746000    
 H   -6.101300      -1.606200      -1.024400    
 H   -6.074200     -0.9418000      0.6334000    


%chk=000109032-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000109032

0 1
O 2.425541 -2.032256 -0.104023
O -4.127785 0.556258 0.046536
N 2.628736 0.327440 -0.050576
N -2.147486 -0.737121 -0.023045
N 4.535641 -1.028267 -0.124602
N -4.243127 -1.778677 -0.022628
C 1.266149 0.741991 -0.023111
C 1.006530 2.149531 0.017072
C -1.142975 0.269889 -0.007786
C 0.199980 -0.184912 -0.034667
C -0.343368 2.562611 0.043018
C -1.425934 1.658463 0.031198
C 2.135761 3.166624 0.033267
C 3.138416 -0.981033 -0.093753
C -3.541730 -0.568427 0.003198
C 5.249854 -2.306825 -0.168468
C -5.707444 -1.803781 0.001454
H 0.440119 -1.251690 -0.063949
H -0.559115 3.637560 0.073962
H -2.460871 2.001443 0.052094
H 2.792237 3.057440 0.921689
H 2.776220 3.105506 -0.871440
H 1.729129 4.190940 0.064043
H 3.306914 1.090529 -0.037389
H -1.787685 -1.693505 -0.051838
H 5.082697 -0.167023 -0.126341
H -3.741641 -2.666350 -0.062000
H 5.911132 -2.432334 0.709382
H 5.853024 -2.404213 -1.090780
H 4.491029 -3.105465 -0.157123
H -6.090749 -2.333490 0.894006
H -6.120840 -2.282421 -0.906320
H -6.050559 -0.757335 0.037019


