%chk=000040827.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000040827

0 1
 O   -1.701300     -0.7159000      0.7441000    
 O   -1.891500       1.871500     -0.2540000    
 O    4.095000      9.3000000E-03 -0.2476000    
 O    3.135800      -1.788900      0.5795000    
 O   -1.931900      -1.547700      -1.431800    
 N    3.077100     -0.6214000      0.1250000    
 C  -0.5857000     -4.4599999E-02  0.3432000    
 C  -0.6813000       1.253800     -0.1576000    
 C    1.809200      1.0800000E-02  2.9600000E-02
 C   0.6595000     -0.6660000      0.4367000    
 C   0.4684000       1.930700     -0.5649000    
 C    1.713600       1.309200     -0.4712000    
 C   -2.314700      -1.465700     -0.2722000    
 C   -2.324400       2.628800      0.8744000    
 C   -3.527800      -2.163900      0.2670000    
 H   0.7033000      -1.678300      0.8320000    
 H   0.4007000       2.942000     -0.9568000    
 H    2.587200       1.867300     -0.7981000    
 H   -1.627100       3.448000       1.076700    
 H   -2.417200       1.987300       1.756400    
 H   -3.305900       3.053100      0.6461000    
 H   -3.235300      -2.844000       1.070700    
 H   -3.995900      -2.746700     -0.5313000    
 H   -4.247400      -1.425500      0.6291000    


%chk=000040827-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000040827

0 1
O -1.711925 -0.348030 0.759255
O -1.411425 2.581152 0.251924
O 4.207513 -0.270228 -0.578993
O 2.948741 -2.110072 -0.082432
O -1.788841 -1.886965 -1.022201
N 3.085365 -0.838095 -0.275043
C -0.478601 0.231329 0.327340
C -0.394750 1.645265 0.142196
C 1.894482 0.018665 -0.136126
C 0.660633 -0.578362 0.186255
C 0.873358 2.211653 -0.171575
C 2.015656 1.417070 -0.314851
C -2.275093 -1.449502 0.031883
C -2.835133 2.206157 0.361644
C -3.498745 -1.943826 0.763524
H 0.607324 -1.660598 0.325487
H 0.915344 3.296484 -0.301995
H 2.988766 1.847599 -0.561696
H -3.032718 1.670122 1.303009
H -3.147018 1.591191 -0.500743
H -3.363812 3.170712 0.345780
H -3.200422 -2.387316 1.730042
H -4.012079 -2.702713 0.156298
H -4.184223 -1.108490 0.986020


