%chk=000094468.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000094468

0 1
 O   -6.681100       1.252800     -0.3720000    
 O    5.356900       2.300000       1.078500    
 N   -4.547100      0.2789000     -0.4712000    
 N    5.192100      0.3525000     -0.2368000    
 C   -1.084600     -0.8009000      0.2779000    
 C   -2.341900      -1.600900      0.6397000    
 C   -1.449800      0.4694000     -0.4998000    
 C   -3.354000     -0.7509000       1.408300    
 C   -2.456500       1.331700      0.2621000    
 C   -3.700300      0.5573000      0.6976000    
 C  -0.1106000      -1.662100     -0.5242000    
 C    1.293100      -1.128200     -0.4474000    
 C    1.727600     -0.2064000      -1.390800    
 C    2.137500      -1.563800      0.5654000    
 C    3.029800      0.2883000      -1.320300    
 C    3.439800      -1.069000      0.6360000    
 C   -5.610900      0.7667000     -0.4178000    
 C    3.885900     -0.1428000     -0.3068000    
 C    5.274300       1.327300      0.4216000    
 H  -0.6104000     -0.4984000       1.222600    
 H   -2.070500      -2.470500       1.250500    
 H   -2.811300      -1.990000     -0.2728000    
 H   -1.867000      0.2054000      -1.479700    
 H  -0.5639000       1.084300     -0.6854000    
 H   -4.261100      -1.340500       1.588000    
 H   -2.930800     -0.5155000       2.393500    
 H   -1.961500       1.734200       1.155400    
 H   -2.739000       2.192400     -0.3561000    
 H   -4.236200       1.188300       1.424500    
 H  -0.4274000      -1.750000      -1.571700    
 H  -0.1076000      -2.690500     -0.1383000    
 H    1.075700      0.1287000      -2.192500    
 H    1.799700      -2.283400       1.305800    
 H    3.368100       1.005900      -2.063600    
 H    4.098400      -1.413800       1.429100    


%chk=000094468-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000094468

0 1
O -6.284159 0.891135 -2.013511
O 7.311974 1.663991 -0.150878
N -4.516645 0.459849 -0.393408
N 5.090450 0.684198 -0.247651
C -1.217512 -0.880608 0.458798
C -2.545745 -1.674989 0.541105
C -1.487007 0.560023 -0.044675
C -3.600120 -0.952823 1.408798
C -2.536786 1.286637 0.825070
C -3.866677 0.492860 0.912481
C -0.185464 -1.630199 -0.436143
C 1.210797 -1.028231 -0.403138
C 1.714938 -0.259585 -1.483220
C 2.047106 -1.207143 0.730951
C 3.002090 0.314595 -1.442092
C 3.335497 -0.642603 0.792919
C -5.431520 0.703970 -1.155323
C 3.822027 0.126461 -0.298639
C 6.194532 1.169710 -0.203255
H -0.793063 -0.811103 1.485212
H -2.356991 -2.686321 0.952197
H -2.950455 -1.813704 -0.481890
H -1.854169 0.512544 -1.090417
H -0.546638 1.141959 -0.057280
H -4.548691 -1.520970 1.421859
H -3.242378 -0.883267 2.455943
H -2.152233 1.406060 1.857943
H -2.735167 2.299838 0.429071
H -4.546859 1.001121 1.626550
H -0.567402 -1.642928 -1.476096
H -0.142559 -2.686041 -0.099980
H 1.092635 -0.111087 -2.373631
H 1.687070 -1.806864 1.575938
H 3.380851 0.902882 -2.283930
H 3.973674 -0.792868 1.669621


