%chk=000002602.chk
%nprocshared=4
%mem=4GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000002602

0 1
 O    3.361700      -1.826500      0.6226000    
 O    5.744200     -0.9075000     -0.2218000    
 O   -4.011000      -1.611500     -0.4737000    
 O   -6.289200     -0.3041000      0.1842000    
 N    4.590500     -0.1153000     -0.3125000    
 N   -5.035600      0.3134000      0.2931000    
 C  -0.1921000      0.3286000     -0.1107000    
 C    2.209900      0.1442000      7.1599998E-02
 C   0.9568000     -0.4589000     -3.5599999E-02
 C  -8.7800004E-02   1.719100     -7.8599997E-02
 C    2.314300       1.534800      0.1038000    
 C    1.165400       2.322300      2.8700000E-02
 C   -1.499100     -0.2999000     -0.2233000    
 C    3.408200     -0.6763000      0.1489000    
 C   -2.677700      0.2920000      7.3899999E-02
 C   -3.958500     -0.4541000     -7.0600003E-02
 H   0.8745000      -1.543700     -6.4300001E-02
 H  -0.9517000       2.373000     -0.1538000    
 H    3.270300       2.040000      0.2076000    
 H    1.246700       3.405100      5.4099999E-02
 H   -1.492600      -1.332000     -0.5672000    
 H   -2.741500       1.308600      0.4459000    
 H    4.687600      0.7592000     -0.8154000    
 H   -5.028900       1.295000      0.5461000    
 H    6.098900     -0.5962000      0.6282000    
 H   -6.414700     -0.6008000       1.101500    


%chk=000002602-Freq.chk
%nprocshared=4
%mem=4GB
#p freq=noraman PBEPBE/SDD

000002602

0 1
O 3.408163 -1.833395 0.458695
O 5.774297 -1.011625 -0.330407
O -3.990874 -1.695717 0.170545
O -6.342170 -0.533211 0.167357
N 4.663388 -0.102364 -0.320927
N -5.152863 0.263269 0.145103
C -0.190978 0.519001 0.097003
C 2.271540 0.314796 0.079862
C 0.986354 -0.275435 0.105994
C -0.047706 1.937797 0.067150
C 2.392864 1.728555 0.069065
C 1.229113 2.530584 0.058690
C -1.494367 -0.160373 0.121441
C 3.448945 -0.602832 0.090755
C -2.730927 0.423548 0.119414
C -3.946557 -0.409260 0.146205
H 0.920136 -1.368831 0.139484
H -0.934741 2.580336 0.061156
H 3.376000 2.211893 0.107759
H 1.323285 3.621632 0.056084
H -1.478973 -1.259383 0.144405
H -2.860687 1.513688 0.098923
H 4.880353 0.768909 -0.799530
H -5.351741 1.261139 0.117755
H 5.327801 -1.850004 0.029511
H -5.931055 -1.464218 0.181208


