%chk=000046635.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000046635

0 1
 O   -2.396300      0.1461000      0.6442000    
 O    2.237400     -0.2209000      0.1009000    
 O    1.362700       1.733900     -0.7321000    
 N  -0.2680000      -2.621000     -7.7900000E-02
 C   -1.165700      0.7186000      0.3653000    
 C   -3.164200      2.2000000E-02 -0.5344000    
 C  -9.4599999E-02 -3.8899999E-02  4.3000001E-02
 C   -1.170300       2.221400      0.4625000    
 C    3.561600      0.2752000     -0.1234000    
 C   -4.492300     -0.6193000     -0.1925000    
 C    1.222300      0.6188000     -0.2515000    
 C    4.561800     -0.7718000      0.3184000    
 C  -0.1945000      -1.463900     -2.2600001E-02
 H   -3.350300       1.009600     -0.9749000    
 H   -2.651800     -0.5997000      -1.278400    
 H   -2.038400       2.564800       1.036600    
 H  -0.2863000       2.599100      0.9853000    
 H   -1.230400       2.671700     -0.5330000    
 H    3.695600      0.4885000      -1.189700    
 H    3.709300       1.194900      0.4534000    
 H   -5.116600     -0.7258000      -1.084100    
 H   -4.339600      -1.608700      0.2514000    
 H   -5.032400     -1.8400000E-02  0.5467000    
 H    5.586800     -0.4250000      0.1605000    
 H    4.428000      -1.009200       1.379000    
 H    4.414200      -1.704000     -0.2368000    


%chk=000046635-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000046635

0 1
O -2.577805 0.691482 0.067925
O 2.196702 -0.151094 -0.064018
O 1.526427 2.021787 0.441448
N -0.195469 -2.312196 -0.581079
C -1.261473 1.071982 0.173945
C -3.053281 -0.694961 -0.255015
C -0.136185 0.254684 0.004927
C -1.202531 2.542436 0.508509
C 3.619811 0.288752 0.059471
C -4.575385 -0.619102 -0.258292
C 1.230533 0.831108 0.156749
C 4.478460 -0.939071 -0.224553
C -0.193472 -1.144456 -0.315089
H -2.648284 -0.986839 -1.238692
H -2.672406 -1.387693 0.514238
H -2.230546 2.931536 0.568032
H -0.674996 2.712395 1.461905
H -0.625887 3.099622 -0.248320
H 3.794464 1.107178 -0.662487
H 3.772005 0.689685 1.078096
H -4.990549 -1.615370 -0.495000
H -4.958443 -0.307857 0.728272
H -4.934329 0.096800 -1.016935
H 5.548359 -0.671968 -0.148377
H 4.266204 -1.743864 0.499352
H 4.286075 -1.326973 -1.239112


