%chk=000046477.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000046477

0 1
 O    2.025500       2.243500     -0.7072000    
 O    1.425600      -2.138700      0.7613000    
 N    1.325800      0.1125000      4.3000001E-02
 C    3.605000      0.5440000      0.1828000    
 C    3.359500     -0.9677000     -0.2704000    
 C    4.993600      0.3103000     -0.3901000    
 C    4.795900      -1.159000      0.1886000    
 C    2.260100       1.131900     -0.2503000    
 C    1.939600      -1.139600      0.2741000    
 C  -5.2999999E-02  0.3197000      9.8899998E-02
 C  -0.9277000     -0.7169000     -0.2284000    
 C  -0.5548000       1.560200      0.4814000    
 C   -2.318000     -0.5246000     -0.1776000    
 C   -2.828200      0.7370000      0.2110000    
 C   -1.933200       1.768900      0.5376000    
 C   -3.213000      -1.556500     -0.5037000    
 C   -4.218300      0.9294000      0.2622000    
 C   -4.591300      -1.347500     -0.4477000    
 C   -5.093100     -0.1069000     -6.5499999E-02
 H    3.685100      0.6963000       1.276100    
 H    3.304900      -1.123800      -1.364700    
 H    5.077000      0.3847000      -1.480300    
 H    5.804000      0.8803000      7.1300000E-02
 H    4.939300      -1.267500       1.269700    
 H    5.364200      -1.936400     -0.3283000    
 H  -0.5528000      -1.680700     -0.5655000    
 H   9.2100002E-02   2.380200      0.7787000    
 H   -2.303800       2.744100      0.8468000    
 H   -2.843800      -2.534600     -0.8049000    
 H   -4.632800       1.890900      0.5583000    
 H   -5.272700      -2.154000     -0.7026000    
 H   -6.166200      5.5100001E-02 -2.2100000E-02


%chk=000046477-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000046477

0 1
O 2.014525 2.241947 -0.868465
O 1.433648 -2.169636 0.849217
N 1.349679 0.095836 0.014556
C 3.622657 0.539088 0.114719
C 3.403074 -0.958863 -0.200365
C 5.117689 0.337592 -0.310300
C 4.914582 -1.183018 0.148566
C 2.311510 1.148913 -0.346574
C 1.997014 -1.189486 0.323601
C -0.073459 0.304700 0.065917
C -0.955195 -0.727856 -0.272439
C -0.582340 1.578866 0.488917
C -2.370227 -0.531792 -0.193816
C -2.888496 0.755467 0.221141
C -1.956654 1.792632 0.554367
C -3.294487 -1.578690 -0.524016
C -4.307017 0.947861 0.289124
C -4.672181 -1.362702 -0.449162
C -5.183531 -0.089270 -0.039445
H 3.628413 0.649564 1.219592
H 3.324215 -1.059340 -1.303764
H 5.275212 0.412618 -1.399532
H 5.873181 0.933603 0.222218
H 5.098514 -1.306236 1.229324
H 5.448082 -1.961360 -0.416355
H -0.572548 -1.704044 -0.582784
H 0.112828 2.382099 0.743453
H -2.339708 2.769363 0.871821
H -2.902208 -2.554544 -0.833743
H -4.695780 1.923632 0.604068
H -5.369890 -2.168283 -0.702621
H -6.266599 0.065938 0.015282


