%chk=000007079.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000007079

0 1
 O    2.783000      -2.214400     -0.3997000    
 O   -1.421800      0.9681000      -1.344900    
 O   0.6781000       2.242800      0.8754000    
 N    1.280700      2.9200001E-02  0.3689000    
 C  -0.9958000      0.5456000      0.9811000    
 C    2.661100      0.1345000      7.2899997E-02
 C   -1.897600      0.5729000     -0.2611000    
 C   -3.281800      0.1374000     -0.1671000    
 C   0.4184000       1.049100      0.7491000    
 C    3.375900     -0.9906000     -0.3046000    
 C    3.268700       1.376200      0.1688000    
 C    4.735200     -0.8711000     -0.5938000    
 C   -3.792300     -0.3062000       1.053000    
 C   -4.099000      0.1628000      -1.297100    
 C    4.628100       1.495600     -0.1204000    
 C    5.361400      0.3721000     -0.5017000    
 C   -5.120100     -0.7243000       1.142900    
 C   -5.426700     -0.2552000      -1.207200    
 C   -5.937200     -0.6989000      1.2900000E-02
 C    2.781800      -3.025800      0.7727000    
 H   -1.437900       1.186100       1.753200    
 H  -0.9488000     -0.4805000       1.363400    
 H   0.8927000     -0.9071000      0.2785000    
 H    2.777900       2.292400      0.4600000    
 H    5.312900      -1.741800     -0.8921000    
 H   -3.194100     -0.3430000       1.957800    
 H   -3.725200      0.5040000      -2.258800    
 H    5.117300       2.462800     -4.8000000E-02
 H    6.419800      0.4651000     -0.7268000    
 H   -5.518200      -1.069800       2.092600    
 H   -6.063300     -0.2354000      -2.086900    
 H   -6.971000      -1.024400      8.2699999E-02
 H    2.236900      -3.947400      0.5507000    
 H    2.280900      -2.514800       1.601000    
 H    3.806300      -3.285500       1.057700    


%chk=000007079-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000007079

0 1
O 2.400520 -1.925219 -0.251619
O -1.049245 -1.379798 0.187297
O 0.597090 2.293004 1.594892
N 1.166878 0.164513 0.763568
C -1.129868 0.579226 1.612878
C 2.536544 0.348825 0.440414
C -1.755675 -0.421425 0.643471
C -3.199871 -0.309628 0.260134
C 0.300891 1.094374 1.298928
C 3.212448 -0.785145 -0.112539
C 3.257755 1.552034 0.630202
C 4.573554 -0.712662 -0.468988
C -4.054575 0.734287 0.710505
C -3.733144 -1.314579 -0.597679
C 4.624940 1.619611 0.273392
C 5.281741 0.497964 -0.273656
C -5.408192 0.769929 0.312068
C -5.082578 -1.276890 -0.994099
C -5.925646 -0.232815 -0.539824
C 2.992516 -3.123783 -0.842942
H -1.739534 1.482434 1.749849
H -1.076071 0.076720 2.601882
H 0.757880 -0.757787 0.523690
H 2.737498 2.413907 1.051664
H 5.085570 -1.581695 -0.892975
H -3.678345 1.524361 1.367486
H -3.061717 -2.110575 -0.935503
H 5.171383 2.556389 0.425072
H 6.339937 0.555067 -0.550553
H -6.057287 1.579130 0.663136
H -5.481016 -2.054641 -1.654437
H -6.976509 -0.201148 -0.848403
H 2.180271 -3.864735 -0.864039
H 3.830201 -3.501751 -0.225300
H 3.347956 -2.927000 -1.872871


