%chk=000047479.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000047479

0 1
 O   -6.268100     -8.8900000E-02 -0.2253000    
 O   -5.608400     -9.0400003E-02   1.949900    
 N  -6.8300001E-02 -0.1620000      -1.351400    
 N    3.552200      0.2057000      0.7285000    
 C    1.159500     -3.7200000E-02 -0.6462000    
 C    1.644000       1.232800     -0.3169000    
 C    1.872400      -1.185600     -0.2874000    
 C    2.861500       1.308600      0.3805000    
 C    3.080900      -1.015200      0.4090000    
 C   0.9482000       2.403700     -0.6648000    
 C    1.409000      -2.474200     -0.6051000    
 C   -1.349400     -0.1447000     -0.8385000    
 C    3.349100       2.570200      0.7111000    
 C    3.795400      -2.154700      0.7690000    
 C    1.457300       3.652900     -0.3224000    
 C    2.142200      -3.597300     -0.2337000    
 C    2.660200       3.735900      0.3670000    
 C    3.337900      -3.436800      0.4547000    
 C   -1.576400     -0.1369000      0.5534000    
 C   -2.473800     -0.1358000      -1.689700    
 C   -2.871400     -0.1209000       1.071600    
 C   -3.768700     -0.1197000      -1.171600    
 C   -3.967500     -0.1124000      0.2091000    
 C   -5.317800     -9.7000003E-02  0.7493000    
 H   3.1599998E-02 -0.2546000      -2.355900    
 H   9.8000001E-03   2.378700      -1.212100    
 H   0.4794000      -2.634300      -1.145300    
 H    4.289700       2.661600       1.251200    
 H    4.735400      -2.055300       1.309100    
 H   0.9192000       4.555700     -0.5940000    
 H    1.782700      -4.591400     -0.4809000    
 H    3.066500       4.705700      0.6386000    
 H    3.917900      -4.306500      0.7490000    
 H  -0.7481000     -0.1472000       1.258000    
 H   -2.337100     -0.1413000      -2.769100    
 H   -3.005300     -0.1164000       2.150100    
 H   -4.593300     -0.1137000      -1.878800    
 H   -7.174800     -7.8000002E-02  0.1492000    


%chk=000047479-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000047479

0 1
O -6.468721 0.279274 -0.400565
O -5.802165 1.042697 1.690300
N -0.143001 -0.571773 -1.158372
N 3.696470 0.186299 0.648048
C 1.096430 -0.297373 -0.520189
C 1.483669 1.029521 -0.148358
C 2.017900 -1.375986 -0.324076
C 2.797397 1.205531 0.469660
C 3.327783 -1.069208 0.242504
C 0.681417 2.197750 -0.398743
C 1.708887 -2.746148 -0.637692
C -1.443247 -0.257402 -0.717832
C 3.201807 2.524518 0.882321
C 4.282150 -2.133783 0.408075
C 1.117154 3.459758 -0.004384
C 2.655904 -3.751876 -0.456249
C 2.381309 3.624764 0.659621
C 3.960842 -3.441424 0.058435
C -1.707437 0.260275 0.584385
C -2.536148 -0.508007 -1.600362
C -3.027774 0.524459 0.976721
C -3.853467 -0.244541 -1.197240
C -4.116646 0.280679 0.096594
C -5.485666 0.577425 0.565545
H -0.095208 -1.209341 -1.956427
H -0.278394 2.091034 -0.911143
H 0.705145 -3.010906 -0.988822
H 4.182280 2.615109 1.359417
H 5.257965 -1.864940 0.823681
H 0.494832 4.338169 -0.206451
H 2.401803 -4.791106 -0.691657
H 2.700768 4.624485 0.973313
H 4.694383 -4.244185 0.189981
H -0.883375 0.436430 1.280827
H -2.340006 -0.901595 -2.605451
H -3.242814 0.916520 1.976268
H -4.690027 -0.434891 -1.875058
H -7.358598 0.502890 -0.017426


