%chk=000047581.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000047581

0 1
 O   -3.407700       2.580600     -0.8198000    
 O  -0.1559000       1.458900       1.661200    
 O   -4.776000       1.208900      0.3449000    
 N   -1.248500       1.181800     -0.3686000    
 C   -2.447700      0.5802000      0.1591000    
 C   -2.687400     -0.8105000     -0.4429000    
 C   -1.540900      -1.762600     -0.2011000    
 C   0.9425000       2.171600     -0.3761000    
 C  -0.1891000       1.575600      0.4389000    
 C   -3.658000       1.468800     -8.7700002E-02
 C    2.239700       1.420100     -0.2349000    
 C  -0.5098000      -1.832400      -1.124400    
 C   -1.540300      -2.549100      0.9401000    
 C   0.5495000      -2.711900     -0.9010000    
 C  -0.4808000      -3.428500       1.163400    
 C    3.132300       1.780100      0.7649000    
 C    2.524000      0.3779000      -1.106100    
 C   0.5641000      -3.509900      0.2428000    
 C    4.334000       1.083900      0.8960000    
 C    3.725500     -0.3184000     -0.9749000    
 C    4.630400      3.4699999E-02  2.6200000E-02
 H   -2.347000      0.4997000       1.248300    
 H   -3.611500      -1.244100     -3.7700001E-02
 H   -2.864500     -0.7270000      -1.524500    
 H   -1.209200       1.350000      -1.369500    
 H    1.070600       3.210000     -4.3699998E-02
 H   0.6774000       2.242300      -1.438200    
 H  -0.5133000      -1.219500      -2.021100    
 H   -2.348300      -2.490600       1.663600    
 H    1.361500      -2.778200      -1.619200    
 H  -0.4689000      -4.049400       2.054400    
 H    2.910200       2.594400       1.448800    
 H    1.830500      0.1024000      -1.894900    
 H    1.388900      -4.194700      0.4166000    
 H    5.038400       1.358400       1.675700    
 H    3.957000      -1.134400      -1.653300    
 H    5.566000     -0.5073000      0.1282000    
 H   -4.214500       3.123100     -0.9504000    


%chk=000047581-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000047581

0 1
O -3.376838 2.227246 -1.517156
O -0.310713 1.433859 1.823928
O -4.782725 1.165482 -0.000586
N -1.150376 1.340716 -0.348334
C -2.371274 0.625720 0.016165
C -2.426181 -0.842356 -0.554479
C -1.378546 -1.750091 0.066022
C 1.011721 2.468962 0.022658
C -0.200492 1.712957 0.592858
C -3.632723 1.353190 -0.445808
C 2.160148 1.525389 -0.334577
C -0.086531 -1.874619 -0.503053
C -1.676213 -2.479367 1.246137
C 0.887821 -2.706653 0.092529
C -0.706869 -3.314980 1.842489
C 2.761374 0.719494 0.666837
C 2.641399 1.438837 -1.664842
C 0.579845 -3.431212 1.266244
C 3.824951 -0.149788 0.341584
C 3.706904 0.567612 -1.992152
C 4.303229 -0.229069 -0.988273
H -2.391654 0.572365 1.119930
H -3.441112 -1.231743 -0.352346
H -2.300273 -0.787765 -1.652808
H -1.056104 1.658494 -1.314252
H 1.330884 3.173295 0.811220
H 0.720538 3.063131 -0.863353
H 0.163669 -1.315428 -1.412744
H -2.672538 -2.393413 1.698323
H 1.884268 -2.781452 -0.356791
H -0.953204 -3.873888 2.752361
H 2.379228 0.768119 1.692962
H 2.191275 2.063363 -2.447271
H 1.333462 -4.079173 1.727974
H 4.281146 -0.765138 1.125334
H 4.072553 0.516267 -3.024135
H 5.133198 -0.899857 -1.237732
H -4.230047 2.646395 -1.811765


