%chk=000047062.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000047062

1 1
 O    2.249500     -7.6200001E-02 -0.8600000    
 O    2.691400     -0.5615000       1.376000    
 N   -2.479300     -0.6828000      1.8500000E-02
 N    4.222600      -1.085500     -0.2573000    
 C   -1.240000      0.2132000     -4.5600001E-02
 C   -3.530700     -0.1354000     -0.9425000    
 C   -3.005100     -0.6917000       1.451200    
 C   -2.171400      -2.123700     -0.3834000    
 C  -7.8900002E-02 -0.3716000     -0.4263000    
 C   -1.408700       1.516000      0.2850000    
 C    1.050100      0.4454000     -0.4836000    
 C  -0.2796000       2.333000      0.2278000    
 C   0.9498000       1.797600     -0.1565000    
 C    3.030100     -0.5767000      0.1966000    
 H   -3.091400     -7.0000000E-02  -1.943100    
 H   -4.378000     -0.8288000     -0.9492000    
 H   -3.876600      0.8437000     -0.6004000    
 H   -3.361000      0.3054000       1.724400    
 H   -3.842900      -1.394800       1.500900    
 H   -2.200600      -1.018000       2.118100    
 H   -1.451800      -2.556700      0.3193000    
 H   -3.104300      -2.695000     -0.3145000    
 H   -1.828500      -2.150800      -1.423000    
 H   6.2500000E-02  -1.409900     -0.6921000    
 H   -2.351200       1.955300      0.5876000    
 H  -0.3572000       3.386000      0.4827000    
 H    1.825300       2.439900     -0.1997000    
 H    4.459700      -1.076100      -1.243600    
 H    4.902700      -1.486300      0.3799000    


%chk=000047062-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000047062

1 1
O 2.483897 0.260776 -0.226205
O 2.161287 -2.107522 -0.349112
N -2.457665 -0.678800 0.101678
N 4.277610 -1.096827 -0.457669
C -1.250759 0.267738 0.067887
C -3.404374 -0.340569 -1.059470
C -3.194770 -0.516995 1.439233
C -2.062680 -2.151192 -0.035179
C 0.043181 -0.264856 -0.071133
C -1.488013 1.654148 0.182016
C 1.136740 0.639236 -0.095013
C -0.378373 2.529037 0.153801
C 0.931804 2.033099 0.016485
C 2.920072 -1.111629 -0.348451
H -2.850660 -0.450754 -2.003362
H -4.261136 -1.031816 -1.032272
H -3.754926 0.695074 -0.957374
H -3.541228 0.519730 1.544165
H -4.054787 -1.204514 1.456872
H -2.494764 -0.755675 2.253297
H -1.402139 -2.436245 0.795873
H -2.984301 -2.751692 0.001242
H -1.554152 -2.310719 -0.996534
H 0.259830 -1.328475 -0.161542
H -2.492355 2.074547 0.291582
H -0.542222 3.606870 0.240378
H 1.795451 2.702700 -0.005801
H 4.794143 -0.219080 -0.444550
H 4.771790 -1.981595 -0.553642


