%chk=000022185.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000022185

0 1
 O   -3.647800     -0.4879000     -0.5315000    
 O   -3.791100       1.719600      -1.019600    
 N    1.676900      -1.194800      0.3564000    
 C    1.250800     -9.8099999E-02 -0.5426000    
 C   0.1753000      0.8493000      4.1999999E-02
 C    2.551500      0.6250000     -0.9328000    
 C   -1.056600      0.1307000      0.6696000    
 C   -1.402700      -1.219900      4.9000001E-03
 C   0.7705000       1.839900       1.067800    
 C    3.519600     -0.5382000      -1.061200    
 C    3.055600       1.645900      9.2500001E-02
 C    3.103000      -1.469200      6.7199998E-02
 C    1.954800       2.607500      0.4988000    
 C   0.8873000      -2.417900      0.1448000    
 C  -0.5728000      -2.362800      0.6043000    
 C   -2.289200       1.055400      0.7348000    
 C   -2.897400      -1.496000      0.1719000    
 C   -3.287600      0.8115000     -0.3672000    
 H   0.8603000     -0.5260000      -1.477800    
 H  -0.1899000       1.446100     -0.8071000    
 H    2.429100       1.129800      -1.899100    
 H  -0.7971000     -7.3700003E-02   1.719000    
 H   -1.218900      -1.154600      -1.075400    
 H    1.087800       1.299900       1.969200    
 H   1.5200000E-02   2.564800       1.389200    
 H    4.570300     -0.2403000     -0.9922000    
 H    3.369600      -1.038000      -2.026400    
 H    3.896600       2.206500     -0.3331000    
 H    3.441900       1.149100      0.9909000    
 H    3.318700      -2.510900     -0.1989000    
 H    3.680100      -1.246500      0.9721000    
 H    2.336600       3.306900       1.251100    
 H    1.636700       3.204600     -0.3643000    
 H    1.351400      -3.236400      0.7119000    
 H   0.9214000      -2.721500     -0.9106000    
 H   -1.031000      -3.322300      0.3303000    
 H  -0.6082000      -2.318300       1.700700    
 H   -2.007600       2.112600      0.7071000    
 H   -2.821100      0.9056000       1.683100    
 H   -3.162800      -2.457800     -0.2796000    
 H   -3.215100      -1.521100       1.220700    


%chk=000022185-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000022185

0 1
O -3.683181 -0.440691 -0.586303
O -3.820435 1.815885 -0.966188
N 1.645802 -1.237885 0.337182
C 1.246684 -0.092328 -0.556408
C 0.170909 0.859318 0.044842
C 2.582896 0.613246 -0.962077
C -1.032913 0.106375 0.694900
C -1.414772 -1.237071 -0.002377
C 0.785813 1.848721 1.065719
C 3.566426 -0.583850 -1.016969
C 3.072756 1.701454 0.027022
C 3.133885 -1.425932 0.211353
C 1.943189 2.660727 0.450569
C 0.870902 -2.474538 0.068971
C -0.594217 -2.426598 0.553592
C -2.285685 1.045433 0.810849
C -2.923788 -1.488630 0.152569
C -3.299188 0.889031 -0.317027
H 0.821338 -0.521240 -1.499224
H -0.220637 1.451112 -0.813602
H 2.450848 1.079280 -1.957720
H -0.722045 -0.150165 1.727292
H -1.235703 -1.152789 -1.094782
H 1.167105 1.266967 1.930506
H 0.004549 2.531199 1.452827
H 4.623471 -0.266010 -0.966588
H 3.425167 -1.161570 -1.950120
H 3.907570 2.258498 -0.441614
H 3.482422 1.220592 0.938239
H 3.387282 -2.495925 0.092335
H 3.640928 -1.065631 1.128188
H 2.325531 3.402719 1.177683
H 1.574995 3.229929 -0.428033
H 1.371469 -3.313535 0.586821
H 0.868210 -2.716935 -1.027872
H -1.068587 -3.382960 0.248422
H -0.609279 -2.392177 1.660734
H -1.997195 2.107263 0.851077
H -2.821927 0.822096 1.755476
H -3.240099 -2.434223 -0.316299
H -3.236395 -1.490658 1.216934


