%chk=000012816.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000012816

0 1
 O  -0.8326000       2.267800      8.8000000E-03
 O   -2.368700      -2.069800      8.2999999E-03
 N  -0.2276000      -1.150400      2.4999999E-03
 N   -1.972300      0.2340000     -7.8999996E-03
 C   0.3950000      0.1586000      6.0000003E-04
 C    1.215600      0.3945000       1.272200    
 C    1.212800      0.3920000      -1.273400    
 C    2.529900     -0.3858000       1.262300    
 C    2.527100     -0.3880000      -1.265000    
 C    3.338700     -0.1120000     -2.4999999E-03
 C  -0.8572000       1.043100      5.0000002E-04
 C   -1.621200      -1.100400      3.9999999E-04
 C   -3.339300      0.7163000     -6.6999998E-03
 H   0.6381000      0.1210000       2.164500    
 H    1.443500       1.464200       1.370500    
 H    1.440200       1.461600      -1.374300    
 H   0.6334000      0.1166000      -2.163900    
 H    2.322800      -1.460000       1.338800    
 H    3.123000     -0.1148000       2.143100    
 H    3.118300     -0.1185000      -2.147500    
 H    2.320000      -1.462400      -1.339200    
 H    3.669800      0.9339000     -3.8000001E-03
 H    4.242000     -0.7324000     -3.0000000E-03
 H   0.2932000      -2.021900      7.8999996E-03
 H   -3.976300      2.9500000E-02 -0.5705000    
 H   -3.387600       1.721600     -0.4330000    
 H   -3.685900      0.7484000       1.030300    


%chk=000012816-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000012816

0 1
O -0.871495 2.334709 0.062076
O -2.430836 -2.107014 -0.071032
N -0.237478 -1.174579 -0.021424
N -1.984953 0.244218 0.000363
C 0.388613 0.167286 0.010102
C 1.240922 0.394934 1.294009
C 1.241679 0.454391 -1.261421
C 2.549031 -0.428298 1.271891
C 2.549675 -0.368920 -1.278030
C 3.384202 -0.133580 0.003420
C -0.864396 1.077280 0.029291
C -1.622079 -1.147395 -0.035795
C -3.376057 0.700386 0.002339
H 0.634101 0.141641 2.183411
H 1.472845 1.476173 1.348408
H 1.474591 1.536760 -1.264635
H 0.635379 0.244270 -2.162472
H 2.312260 -1.512102 1.316942
H 3.137592 -0.202244 2.181069
H 3.138543 -0.100375 -2.175411
H 2.314507 -1.449922 -1.374034
H 3.722184 0.922556 0.028151
H 4.294083 -0.763152 -0.010933
H 0.274137 -2.052999 -0.060545
H -4.023540 -0.184945 -0.101907
H -3.549652 1.393006 -0.838546
H -3.609158 1.224615 0.944713


