%chk=000008227.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000008227

0 1
 O   0.1541000      -2.179000     -0.1571000    
 O  -0.9288000       1.915200       1.714400    
 N  -3.9999999E-02 -8.6499996E-02  0.8799000    
 C   -2.014200      -1.254700      0.3724000    
 C   -2.376900      0.1184000       1.000800    
 C   -2.683700      -1.183100      -1.018600    
 C   -3.207100      0.7966000     -0.1122000    
 C   -2.515400      0.2968000      -1.387400    
 C   -4.179200      -1.177000     -0.7884000    
 C   -4.493100      1.0200000E-02 -0.2448000    
 C  -0.5082000      -1.269100      0.3226000    
 C   -1.050600      0.7852000       1.262200    
 C    1.357500      0.2070000       1.045400    
 C    2.002400      0.8665000     -0.1863000    
 C    3.529300       1.067400     -3.5399999E-02
 C    1.355100       2.222000     -0.5544000    
 C    4.336600     -0.1617000      0.3979000    
 C    1.938900       2.866100      -1.804000    
 C    4.296000      -1.306500     -0.6144000    
 C    5.027500      -2.533900     -9.2600003E-02
 H   -2.368500      -2.093700      0.9812000    
 H   -2.923900      9.2000002E-03   1.943800    
 H   -2.327400      -1.883200      -1.775200    
 H   -3.322000       1.879500     -5.2600000E-02
 H   -1.472500      0.6115000      -1.483100    
 H   -3.044300      0.5785000      -2.307800    
 H   -4.855400      -1.995900     -0.9742000    
 H   -5.469100      0.3247000      8.8500001E-02
 H    1.480500      0.8608000       1.917000    
 H    1.853100     -0.7429000       1.267900    
 H    1.837300      0.1978000      -1.042000    
 H    3.957200       1.413800     -0.9830000    
 H    3.710500       1.862400      0.6998000    
 H    1.440300       2.921700      0.2857000    
 H   0.2866000       2.076600     -0.7409000    
 H    5.381600      0.1483000      0.5289000    
 H    4.006000     -0.5076000       1.383100    
 H    2.944700       3.258200      -1.628400    
 H    1.974800       2.156900      -2.636900    
 H    1.315300       3.712900      -2.110300    
 H    4.748300     -0.9839000      -1.559100    
 H    3.261000      -1.591500     -0.8302000    
 H    4.568200      -2.901500      0.8306000    
 H    4.992500      -3.339100     -0.8331000    
 H    6.078400      -2.306200      0.1124000    


%chk=000008227-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000008227

0 1
O 0.398398 -2.001815 -0.066843
O -1.095424 1.933199 1.998616
N -0.057458 0.065326 0.982235
C -1.952333 -1.241314 0.331879
C -2.449496 0.068604 1.023010
C -2.564275 -1.133142 -1.130324
C -3.292868 0.782074 -0.119733
C -2.449261 0.404756 -1.379493
C -4.082764 -1.263747 -0.937455
C -4.517702 -0.119428 -0.333091
C -0.424617 -1.155177 0.364191
C -1.176805 0.828684 1.407983
C 1.348385 0.464002 1.193802
C 2.049460 0.961784 -0.099984
C 3.583449 1.063410 0.131342
C 1.451598 2.316628 -0.569250
C 4.316291 -0.260759 0.471443
C 1.845870 2.713289 -2.009018
C 4.128285 -1.385880 -0.574616
C 5.021141 -2.611772 -0.284282
H -2.273118 -2.172741 0.825209
H -3.062384 -0.090092 1.924791
H -2.091421 -1.810303 -1.855381
H -3.482052 1.846990 0.074955
H -1.413627 0.789255 -1.362463
H -2.939536 0.712669 -2.316687
H -4.664529 -2.159672 -1.168719
H -5.525104 0.104381 0.026921
H 1.340316 1.261197 1.960075
H 1.876086 -0.418694 1.594382
H 1.865512 0.207230 -0.891106
H 4.042179 1.482590 -0.786003
H 3.772444 1.803831 0.937972
H 1.761518 3.112679 0.138565
H 0.346447 2.270792 -0.503844
H 5.399403 -0.038038 0.566150
H 4.002403 -0.637735 1.466639
H 2.935502 2.864854 -2.112515
H 1.546145 1.930416 -2.731789
H 1.351263 3.655677 -2.307627
H 4.363537 -0.985736 -1.582827
H 3.068659 -1.705710 -0.597788
H 4.791527 -3.039909 0.710004
H 4.868994 -3.408650 -1.035226
H 6.093362 -2.336800 -0.292001


