%chk=000046335.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000046335

0 1
 O    2.676100      0.1093000     -0.1549000    
 O    1.223000       1.622900      0.7605000    
 O   6.6500001E-02  -2.746300     -8.2800001E-02
 N   0.5201000     -0.5584000      0.3822000    
 N   0.9570000      -1.891500     -0.1411000    
 C   -1.775000      4.4000000E-02 -0.2251000    
 C   -3.197500      0.2165000      0.3076000    
 C  -0.8178000     -0.3880000      0.8793000    
 C   -4.164700      0.6127000     -0.8076000    
 C   -5.574300      0.8178000     -0.2758000    
 C    1.460700      0.4847000      0.3602000    
 C    3.680000       1.129700     -0.2059000    
 C    4.946100      0.5467000     -0.7965000    
 H   -1.429800      0.9856000     -0.6701000    
 H   -1.773200     -0.7013000      -1.030100    
 H   -3.535100     -0.7198000      0.7685000    
 H   -3.204400      0.9836000       1.091600    
 H   -1.161300      -1.305100       1.371000    
 H  -0.7999000      0.3875000       1.655100    
 H   -3.823700       1.538600      -1.285100    
 H   -4.180400     -0.1645000      -1.580700    
 H   -6.249400       1.099400      -1.089900    
 H   -5.958100     -9.9600002E-02  0.1820000    
 H   -5.598200       1.613300      0.4759000    
 H    3.327100       1.957400     -0.8310000    
 H    3.878900       1.496500      0.8072000    
 H    5.736000       1.300900     -0.8504000    
 H    5.301000     -0.2948000     -0.1924000    
 H    4.758400      0.1584000      -1.803000    


%chk=000046335-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000046335

0 1
O 2.714136 0.069093 -0.146541
O 1.155240 1.595658 0.702892
O 0.120272 -2.825867 0.011420
N 0.568458 -0.652723 0.399691
N 1.021514 -1.929902 -0.056072
C -1.777935 0.008371 -0.242236
C -3.213847 0.207937 0.291756
C -0.815321 -0.428883 0.885428
C -4.200309 0.667591 -0.805952
C -5.635369 0.866346 -0.273110
C 1.479892 0.438736 0.340490
C 3.719397 1.184138 -0.232130
C 4.992983 0.564440 -0.792023
H -1.410948 0.953861 -0.685524
H -1.780188 -0.757438 -1.041414
H -3.579933 -0.740402 0.736631
H -3.204365 0.957653 1.109898
H -1.153414 -1.384863 1.323196
H -0.768235 0.343453 1.670212
H -3.834200 1.614949 -1.250441
H -4.207642 -0.079456 -1.625020
H -6.322383 1.193204 -1.074706
H -6.034697 -0.073850 0.151432
H -5.659458 1.631666 0.525284
H 3.302550 1.971921 -0.884258
H 3.854609 1.601830 0.781204
H 5.775751 1.339641 -0.878433
H 5.365780 -0.235590 -0.130938
H 4.815765 0.134687 -1.792034


