%chk=000000643.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000000643

0 1
 O    3.977600      -2.419600     -0.2570000    
 O   -6.407000      8.0600001E-02 -0.6330000    
 O   -5.322800     -0.7501000       1.180300    
 N    2.518000     -0.8180000      0.6453000    
 N    4.164400     -0.1282000     -0.7303000    
 C    2.276700      0.5992000      0.4646000    
 C    3.543100       1.092900     -0.2587000    
 C    1.025400      0.8169000     -0.3721000    
 C  -0.2557000      0.3254000      0.3052000    
 C   -1.508900      0.5218000     -0.5516000    
 C    4.484300       1.832200      0.6858000    
 C    3.599500      -1.263200     -0.1296000    
 C   -2.764300      4.7300000E-02  0.1889000    
 C   -4.040200      0.2657000     -0.6249000    
 C   -5.290000     -0.2028000      8.6999997E-02
 H    2.154500       1.058600       1.451700    
 H    3.319800       1.726100      -1.123700    
 H   0.9190000       1.887900     -0.5864000    
 H    1.126500      0.3112000      -1.341700    
 H  -0.3808000      0.8555000       1.257600    
 H  -0.1647000     -0.7402000      0.5461000    
 H    1.942300      -1.432000       1.212800    
 H    4.960900     -0.1589000      -1.359000    
 H   -1.403800     -3.1900000E-02  -1.492200    
 H   -1.613900       1.582600     -0.8087000    
 H    4.762800       1.212800       1.545800    
 H    5.409500       2.109400      0.1689000    
 H    4.015800       2.748000       1.060400    
 H   -2.850200      0.5787000       1.145200    
 H   -2.664700      -1.017900      0.4329000    
 H   -3.969800     -0.2796000      -1.572700    
 H   -4.155300       1.334100     -0.8400000    
 H   -7.222500     -0.2114000     -0.1724000    


%chk=000000643-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000000643

0 1
O 4.101318 -2.481961 -0.202307
O -6.484548 0.061278 -0.746938
O -5.464379 -0.713522 1.188907
N 2.630329 -0.830927 0.694811
N 4.178590 -0.165131 -0.772737
C 2.301934 0.588715 0.465031
C 3.593638 1.099513 -0.283960
C 1.010113 0.795697 -0.364409
C -0.265239 0.275584 0.333698
C -1.548512 0.545956 -0.483984
C 4.553713 1.886703 0.634431
C 3.684515 -1.295566 -0.103784
C -2.823623 0.027571 0.215703
C -4.092146 0.300191 -0.614123
C -5.361795 -0.176809 0.064172
H 2.198013 1.121977 1.431579
H 3.291765 1.739574 -1.135483
H 0.900227 1.882578 -0.563347
H 1.135003 0.296668 -1.346538
H -0.360776 0.750229 1.333265
H -0.176978 -0.816685 0.508032
H 2.041545 -1.481965 1.207644
H 5.051390 -0.219730 -1.293030
H -1.450215 0.069447 -1.481703
H -1.641497 1.637236 -0.667053
H 4.831030 1.279193 1.514658
H 5.480421 2.161436 0.097290
H 4.076570 2.820425 0.986650
H -2.927190 0.500942 1.210903
H -2.734558 -1.059753 0.402890
H -4.034260 -0.187664 -1.607007
H -4.207797 1.382460 -0.822625
H -7.301101 -0.260559 -0.276138


