%chk=000028854.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000028854

0 1
 O   -1.155400       2.392500      0.2057000    
 O    2.799800     -2.7300000E-02  0.2716000    
 O   -1.404900      -1.681700     -0.2342000    
 O   0.8929000      -1.693000     -0.3706000    
 O    6.192500     -0.8547000      0.1381000    
 O    4.442500      -1.965300      0.8744000    
 N   0.2215000       2.569500      0.1459000    
 N    4.947000     -0.9290000      0.3510000    
 C  -0.2833000      0.3594000     -7.1800001E-02
 C   -1.436700       1.074100      7.4699998E-02
 C   0.7209000       1.341500     -2.0099999E-02
 C   -2.840100      0.7424000      0.1184000    
 C    2.172800       1.109500     -0.1304000    
 C  -0.1772000      -1.059700     -0.2372000    
 C    3.079900       2.003500     -0.6498000    
 C   -3.450200      0.4478000       1.337600    
 C   -3.586500      0.7154000      -1.059500    
 C    4.345300       1.375900     -0.5612000    
 C    4.121500      0.1428000      6.0000001E-03
 C   -4.807000      0.1260000       1.379000    
 C   -4.943200      0.3939000      -1.018400    
 C   -5.553300      9.9200003E-02  0.2009000    
 C   -1.430700      -3.104500     -0.3910000    
 C   -2.868200      -3.578200     -0.3592000    
 H    2.870300       2.986700      -1.048000    
 H   -2.881600      0.4636000       2.264500    
 H   -3.125200      0.9418000      -2.017900    
 H    5.298400       1.778100     -0.8744000    
 H   -5.282000     -0.1042000       2.328100    
 H   -5.524400      0.3722000      -1.935600    
 H   -6.609500     -0.1518000      0.2329000    
 H  -0.9713000      -3.371900      -1.348900    
 H  -0.8670000      -3.569300      0.4252000    
 H   -2.925500      -4.663800     -0.4766000    
 H   -3.344900      -3.298200      0.5860000    
 H   -3.447400      -3.104300      -1.158700    


%chk=000028854-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000028854

0 1
O -1.462768 2.509978 -0.362948
O 1.971460 -0.603925 -0.567303
O -0.240500 -1.702598 0.666532
O -1.773245 -1.904024 -1.077098
O 5.257617 -2.013186 -0.593496
O 3.212378 -2.951843 -1.073389
N -0.023838 2.422326 -0.211246
N 3.965571 -1.965188 -0.704576
C -0.970758 0.290309 -0.361629
C -2.016457 1.218369 -0.475748
C 0.230942 1.083597 -0.206649
C -3.473287 1.180133 -0.621667
C 1.622018 0.675272 -0.103569
C -1.057714 -1.192482 -0.327157
C 2.765939 1.343841 0.346390
C -4.140911 0.045397 -1.164400
C -4.234690 2.321383 -0.230957
C 3.874687 0.454041 0.174415
C 3.349534 -0.712913 -0.374783
C -5.544960 0.056099 -1.295363
C -5.635250 2.319935 -0.369392
C -6.297076 1.186075 -0.899590
C -0.038400 -3.191395 0.668180
C 0.746254 -3.526185 1.930449
H 2.782909 2.351290 0.754983
H -3.560734 -0.822793 -1.490522
H -3.722231 3.195453 0.182153
H 4.918139 0.624590 0.425299
H -6.050233 -0.819315 -1.716787
H -6.211434 3.199336 -0.062867
H -7.387379 1.186592 -1.006623
H -1.030020 -3.675425 0.635565
H 0.520203 -3.442352 -0.251061
H 0.934452 -4.614322 1.968687
H 1.721706 -3.010984 1.935773
H 0.187878 -3.236185 2.836892


