%chk=000046666.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000046666

0 1
 O  -0.9766000      0.8006000     -0.4765000    
 O  -0.6513000      0.6143000       1.794700    
 N   -4.606300      0.3519000      1.8000000E-03
 N    3.697000     -0.6529000     -0.3931000    
 C   -3.219300     -1.9400001E-02 -0.2354000    
 C   -5.457700     -0.8386000      6.5800004E-02
 C   -5.085700       1.260200      -1.042800    
 C   -2.330000       1.213600     -0.2583000    
 C    1.124000      0.1200000      0.2818000    
 C    1.408400      -1.232900      7.0600003E-02
 C    2.127300       1.086100      0.1551000    
 C    2.726800      -1.579400     -0.2699000    
 C    3.417600      0.6488000     -0.1887000    
 C   -4.980400      -1.797600       1.143200    
 C   -6.510900       1.709200     -0.7683000    
 C  -0.2388000      0.5293000      0.6378000    
 C   0.4196000      -2.224900      0.1910000    
 C    1.869700       2.452600      0.3614000    
 C    3.016300      -2.924800     -0.4813000    
 C    4.420900       1.605900     -0.3163000    
 C   0.7349000      -3.562900     -2.5699999E-02
 C    2.890200       3.389300      0.2276000    
 C    2.036100      -3.913200     -0.3626000    
 C    4.168300       2.964600     -0.1120000    
 H   -3.096900     -0.5834000      -1.170000    
 H   -2.833200     -0.6616000      0.5624000    
 H   -6.480600     -0.5660000      0.3448000    
 H   -5.503700      -1.361500     -0.8978000    
 H   -4.506900       2.187600      -1.057400    
 H   -5.020700      0.8105000      -2.041400    
 H   -2.422500       1.814800      0.6545000    
 H   -2.544600       1.869600      -1.105200    
 H   -4.085500      -2.352500      0.8444000    
 H   -4.783900      -1.282700       2.090000    
 H   -5.757600      -2.545800       1.336300    
 H   -7.244900      0.9259000     -0.9810000    
 H   -6.639000       2.046700      0.2660000    
 H   -6.761500       2.554200      -1.419800    
 H  -0.6074000      -1.986300      0.4543000    
 H   0.8815000       2.818600      0.6282000    
 H    4.028600      -3.224700     -0.7463000    
 H    5.430800       1.298200     -0.5817000    
 H  -3.0500000E-02  -4.327100      6.8000004E-02
 H    2.688800       4.444100      0.3875000    
 H    2.292900      -4.954500     -0.5338000    
 H    4.971900       3.687300     -0.2189000    


%chk=000046666-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000046666

0 1
O -1.070830 0.416524 -0.886693
O -0.795266 0.814604 1.390071
N -4.792611 0.090194 -0.180072
N 3.887439 -0.626128 -0.361470
C -3.381873 -0.350604 -0.262680
C -5.325500 0.148556 1.204953
C -5.698393 -0.549076 -1.169191
C -2.510266 0.823043 -0.756772
C 1.117300 0.062757 0.047927
C 1.464292 -1.108051 -0.698772
C 2.153098 0.875466 0.612077
C 2.886712 -1.411644 -0.865666
C 3.540378 0.486670 0.355665
C -4.636118 1.221937 2.069589
C -6.937319 0.304869 -1.502813
C -0.314755 0.451661 0.285984
C 0.510671 -2.029869 -1.264292
C 1.917682 2.068540 1.386977
C 3.282051 -2.591236 -1.590534
C 4.612266 1.297742 0.871045
C 0.930790 -3.165171 -1.950126
C 2.980950 2.827012 1.867524
C 2.328935 -3.450987 -2.121986
C 4.342121 2.443129 1.609729
H -3.270004 -1.207988 -0.957487
H -3.010011 -0.682500 0.726537
H -6.403210 0.382751 1.142413
H -5.241386 -0.847086 1.711215
H -5.118342 -0.697807 -2.099392
H -6.026138 -1.565571 -0.831629
H -2.585625 1.672293 -0.058406
H -2.791105 1.133211 -1.774674
H -3.550859 1.039242 2.171151
H -4.777699 2.221846 1.621949
H -5.071153 1.228004 3.086284
H -7.598896 0.438716 -0.628464
H -6.626263 1.304634 -1.853007
H -7.532571 -0.181489 -2.297857
H -0.556179 -1.821099 -1.160649
H 0.891035 2.363995 1.615562
H 4.356172 -2.772839 -1.691639
H 5.632326 0.968286 0.652332
H 0.187037 -3.852258 -2.368752
H 2.779839 3.728791 2.456275
H 2.635443 -4.349055 -2.669092
H 5.161033 3.057185 1.999855


