%chk=000042622.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000042622

0 1
 O   -3.147900       1.167500      -1.117900    
 O   -4.161500     -0.7274000      0.6440000    
 O    4.321100      0.8688000     -0.3499000    
 O    3.892200      -1.199700     -0.9731000    
 N    3.577500     -0.1151000     -0.4647000    
 N    2.016900       1.626200       2.016300    
 C  -0.1160000     -0.6998000     -0.2904000    
 C   -2.326600      0.2393000     -0.5526000    
 C  -0.9670000      0.2448000     -0.8641000    
 C  -0.6247000      -1.650000      0.5951000    
 C   -2.835400     -0.7109000      0.3329000    
 C   -1.984400      -1.655400      0.9068000    
 C    1.301500     -0.6943000     -0.6155000    
 C    2.249100      1.1700000E-02  2.8600000E-02
 C   -3.317700       2.396700     -0.4149000    
 C    2.122900      0.8974000       1.119400    
 H  -0.5788000      0.9888000      -1.556600    
 H   2.5699999E-02  -2.393200       1.050200    
 H   -2.367600      -2.401300       1.598100    
 H    1.537500      -1.326300      -1.470000    
 H   -2.360200       2.918500     -0.3186000    
 H   -3.749800       2.218500      0.5750000    
 H   -4.003500       3.027100     -0.9874000    
 H   -4.330800      -1.451600       1.270700    


%chk=000042622-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000042622

0 1
O -3.157575 0.989317 -1.535057
O -4.056575 -0.227667 0.939641
O 4.959368 -0.745561 -0.145792
O 3.833139 0.300729 -1.838221
N 3.879003 -0.308103 -0.700592
N 2.836216 -1.771049 2.342504
C 0.066801 -0.139412 -0.069152
C -2.292664 0.449016 -0.582790
C -0.925610 0.447846 -0.912582
C -0.355919 -0.733552 1.161272
C -2.692720 -0.176708 0.640536
C -1.715042 -0.742796 1.499195
C 1.439097 -0.075448 -0.534715
C 2.607465 -0.531775 0.041568
C -4.314649 1.803473 -1.096103
C 2.759072 -1.207565 1.288984
H -0.641187 0.918517 -1.859862
H 0.365319 -1.186217 1.844326
H -2.036065 -1.210790 2.439018
H 1.601751 0.414442 -1.506139
H -3.980449 2.621794 -0.431310
H -5.064857 1.183376 -0.582585
H -4.722311 2.220125 -2.028823
H -4.219107 -0.711693 1.788081


