%chk=000038109.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000038109

0 1
 O   -1.147900      0.3057000      0.9116000    
 O  -0.7841000       2.224500     -0.3248000    
 O    4.898800     -0.6065000     -0.1471000    
 N   -2.522500      0.3316000      0.4449000    
 C   -4.713300      -1.216200     -0.6722000    
 C   -4.668300     -0.8133000      0.7999000    
 C   -3.870200     -0.2672000      -1.521100    
 C   -3.227400     -0.6417000       1.283300    
 C   -2.460000     -0.1169000     -0.9486000    
 C  -0.4018000       1.184300      0.1899000    
 C    1.003500      0.7093000      0.1001000    
 C    2.015900       1.640800      1.4000000E-03
 C    1.250300     -0.6475000      0.1191000    
 C    3.335000       1.195300     -8.2199998E-02
 C    2.569400      -1.093200      3.5500001E-02
 C    3.611800     -0.1718000     -6.5300003E-02
 C    5.110500      -2.017400     -0.1244000    
 H   -4.330200      -2.238500     -0.7809000    
 H   -5.748900      -1.221100      -1.029400    
 H   -5.217400      0.1269000      0.9376000    
 H   -5.175500      -1.571800       1.406700    
 H   -3.816300     -0.6436000      -2.549000    
 H   -4.357900      0.7150000      -1.564500    
 H   -3.242500     -0.2863000       2.320200    
 H   -2.716500      -1.613800       1.279000    
 H   -1.931200      -1.076100      -1.033000    
 H   -1.947300      0.5922000      -1.605800    
 H    1.813200       2.707600     -9.3000000E-03
 H   0.4568000      -1.385900      0.1834000    
 H    4.142900       1.917700     -0.1596000    
 H    2.713300      -2.168200      5.1199999E-02
 H    6.190300      -2.183400     -0.1977000    
 H    4.652300      -2.507000     -0.9903000    
 H    4.783000      -2.458200      0.8234000    


%chk=000038109-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000038109

0 1
O -1.103354 -0.330341 0.018917
O -0.701378 1.923123 -0.540314
O 5.308312 -0.390287 0.100232
N -2.590801 0.013560 0.090252
C -5.332497 -0.817360 -0.439180
C -4.684354 -0.933981 0.960372
C -4.629362 0.287127 -1.261880
C -3.157447 -1.144660 0.841360
C -3.102921 0.049503 -1.317459
C -0.273155 0.786345 -0.237171
C 1.162671 0.404604 -0.128636
C 2.139310 1.402722 -0.403883
C 1.590083 -0.897092 0.234947
C 3.506613 1.107541 -0.316955
C 2.962356 -1.206905 0.324774
C 3.924082 -0.200502 0.046681
C 5.804038 -1.721305 0.466450
H -5.239980 -1.787740 -0.969055
H -6.413058 -0.600571 -0.345933
H -4.873993 -0.009590 1.538260
H -5.116763 -1.778786 1.528879
H -5.019915 0.321758 -2.296226
H -4.817630 1.275667 -0.801891
H -2.681335 -1.168110 1.835781
H -2.943619 -2.108528 0.322250
H -2.877433 -0.906373 -1.845437
H -2.596083 0.879068 -1.835404
H 1.797550 2.404808 -0.682232
H 0.841888 -1.665737 0.447316
H 4.270485 1.862716 -0.523914
H 3.268252 -2.218422 0.607057
H 6.899884 -1.633808 0.443741
H 5.474615 -2.486060 -0.262971
H 5.472741 -2.007081 1.483271


