%chk=000030715.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000030715

1 1
 O    4.582400       1.363900       1.096700    
 N  -0.2536000     -0.5113000     -3.5300002E-02
 N    1.034100     -0.5136000     -0.2959000    
 N    1.568000      -1.277900      -1.262200    
 C    1.943900      0.2468000      0.3755000    
 C   -2.413200      0.3896000     -0.4327000    
 C    3.161500     -4.0100001E-02 -0.1919000    
 C   -1.040000      0.3584000     -0.6827000    
 C   -2.945500     -0.5133000      0.5132000    
 C  -0.7283000      -1.378700      0.8659000    
 C   -2.083100      -1.403900       1.164600    
 C    2.869100     -0.9845000      -1.194100    
 C    1.573000       1.160300       1.474800    
 C   -3.266200       1.288300      -1.092100    
 C   -4.325000     -0.4942000      0.7764000    
 C    4.424700      0.5202000      0.1818000    
 C   -4.634000       1.293600     -0.8186000    
 C   -5.162400      0.4043000      0.1136000    
 C    5.694700      9.2200004E-02 -0.5571000    
 H  -0.5608000       1.021700      -1.396600    
 H  -2.2100000E-02  -2.049400       1.343700    
 H   -2.456100      -2.113000       1.898300    
 H    3.543900      -1.474900      -1.881500    
 H   0.5037000       1.174200       1.700100    
 H    2.093100      0.8740000       2.395100    
 H    1.863600       2.186700       1.226900    
 H   -2.872400       1.990700      -1.823400    
 H   -4.759200      -1.179800       1.501000    
 H   -5.287200       1.992300      -1.333200    
 H   -6.227600      0.4096000      0.3257000    
 H    5.846100     -0.9837000     -0.4358000    
 H    6.559800      0.6168000     -0.1410000    
 H    5.607300      0.3462000      -1.616800    


%chk=000030715-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000030715

1 1
O 4.915800 0.739723 1.375149
N -0.324889 -0.216697 0.107598
N 1.051662 -0.220268 -0.183921
N 1.422240 -0.600641 -1.489066
C 2.114399 0.184910 0.633750
C -2.570577 0.298849 -0.592956
C 3.252970 0.021991 -0.191018
C -1.173254 0.329570 -0.810451
C -3.079888 -0.313355 0.625211
C -0.774666 -0.845664 1.274375
C -2.131486 -0.881723 1.539754
C 2.769373 -0.450365 -1.462522
C 1.976395 0.698325 2.033641
C -3.480471 0.867022 -1.545505
C -4.486913 -0.336112 0.852064
C 4.659542 0.322149 0.208189
C -4.852248 0.829041 -1.292020
C -5.354728 0.227114 -0.092149
C 5.746050 0.110979 -0.831189
H -0.708729 0.764441 -1.697701
H -0.011744 -1.302842 1.902821
H -2.471571 -1.374355 2.454681
H 3.340524 -0.696424 -2.356389
H 1.019183 1.222844 2.200989
H 2.070505 -0.114757 2.778534
H 2.814965 1.382962 2.234739
H -3.092994 1.324210 -2.461919
H -4.881351 -0.795374 1.764121
H -5.554992 1.259009 -2.011712
H -6.434838 0.208921 0.083498
H 5.774845 -0.943771 -1.164331
H 6.721376 0.375790 -0.397414
H 5.567709 0.736000 -1.726452


