%chk=000052261.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000052261

0 1
 O   -1.929000      0.3150000     -1.6799999E-02
 O   -3.122000       2.252500      0.3324000    
 N    5.418700     -0.3779000     -0.4097000    
 C    2.980400     -0.1598000     -0.2871000    
 C    4.324900      0.5556000     -0.1674000    
 C    1.816600      0.8077000     -5.7399999E-02
 C   0.4686000      8.5600004E-02 -0.1417000    
 C    6.626200      0.3390000     -0.8231000    
 C    5.687700      -1.178000      0.7865000    
 C  -0.7070000       1.035600      5.1300000E-02
 C    7.112400       1.272700      0.2723000    
 C    6.781100      -2.200700      0.5283000    
 C   -3.066600       1.047700      0.1408000    
 C   -4.268900      0.1813000      5.0500002E-02
 C   -5.541000      0.7373000      0.1866000    
 C   -4.126600      -1.188600     -0.1710000    
 C   -6.670700     -7.6499999E-02  0.1016000    
 C   -5.256400      -2.002300     -0.2561000    
 C   -6.528400      -1.446200     -0.1198000    
 H    2.899700     -0.9723000      0.4430000    
 H    2.886800     -0.6118000      -1.282800    
 H    4.397100       1.041500      0.8139000    
 H    4.330300       1.354800     -0.9207000    
 H    1.851100       1.608900     -0.8054000    
 H    1.916000       1.278900      0.9280000    
 H   0.4182000     -0.7094000      0.6128000    
 H   0.3687000     -0.4169000      -1.112000    
 H    7.424900     -0.3432000      -1.133000    
 H    6.407900      0.9264000      -1.724700    
 H    5.917600     -0.5856000       1.679200    
 H    4.792800      -1.756700       1.041900    
 H  -0.6945000       1.803600     -0.7313000    
 H  -0.6299000       1.525300       1.029400    
 H    6.366400       2.008500      0.5850000    
 H    7.487600      0.7473000       1.154800    
 H    7.961100       1.849900     -0.1147000    
 H    6.606000      -2.755800     -0.3998000    
 H    7.777700      -1.750900      0.4892000    
 H    6.799100      -2.931500       1.344800    
 H   -5.673500       1.802000      0.3595000    
 H   -3.156000      -1.663300     -0.2831000    
 H   -7.661300      0.3562000      0.2077000    
 H   -5.146400      -3.069100     -0.4285000    
 H   -7.408000      -2.079900     -0.1861000    


%chk=000052261-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000052261

0 1
O -1.982761 0.269547 0.059243
O -3.214201 2.190492 0.533536
N 5.506167 -0.316291 -0.269155
C 2.994263 -0.117971 -0.138910
C 4.359848 0.598360 -0.035705
C 1.803041 0.831248 0.122165
C 0.439566 0.116347 -0.026943
C 6.667547 0.330252 -0.931114
C 5.837642 -1.138341 0.921439
C -0.731139 1.061159 0.242838
C 7.445708 1.388036 -0.098133
C 6.775117 -2.319769 0.609493
C -3.179961 0.969395 0.235740
C -4.375718 0.100869 0.027430
C -5.659277 0.690862 0.163788
C -4.260256 -1.275640 -0.299008
C -6.818377 -0.088996 -0.025798
C -5.423229 -2.052227 -0.486757
C -6.702494 -1.461916 -0.351318
H 2.951565 -0.959774 0.581041
H 2.913335 -0.565137 -1.148379
H 4.427989 1.116938 0.955116
H 4.395104 1.393641 -0.806368
H 1.851873 1.687350 -0.583225
H 1.888987 1.261752 1.141873
H 0.385826 -0.739080 0.673986
H 0.344209 -0.297965 -1.048977
H 7.367477 -0.462014 -1.255767
H 6.291528 0.805580 -1.857739
H 6.278513 -0.522771 1.747428
H 4.886869 -1.543748 1.314788
H -0.751614 1.916698 -0.457946
H -0.718552 1.462943 1.273302
H 6.783504 2.211645 0.226773
H 7.904610 0.942470 0.803409
H 8.258742 1.826916 -0.706284
H 6.362790 -2.925187 -0.217077
H 7.787920 -1.985118 0.321369
H 6.881179 -2.965804 1.500457
H -5.721783 1.754521 0.416676
H -3.265546 -1.718101 -0.401813
H -7.808157 0.368298 0.079128
H -5.334823 -3.114661 -0.738654
H -7.603630 -2.067910 -0.498649


