%chk=000008426.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000008426

0 1
 O    4.872700      0.9126000     -0.2666000    
 O  -0.7728000      -1.791400      0.5106000    
 N   -1.443800      0.3652000     -0.1249000    
 N    4.181300      -1.786400     -0.6624000    
 C   0.8945000     -0.2374000      4.5800000E-02
 C    3.206000     -0.8112000     -0.3597000    
 C    1.868000      -1.190600     -0.2534000    
 C    3.570800      0.5213000     -0.1672000    
 C    1.259300       1.095200      0.2386000    
 C  -0.5005000     -0.6323000      0.1585000    
 C    2.597300       1.474500      0.1319000    
 C   -2.857000      0.2820000     -7.6499999E-02
 C   -3.451600     -0.9127000      0.2917000    
 C   -3.611500       1.397000     -0.3988000    
 C   -4.843300     -0.9948000      0.3391000    
 C   -5.003200       1.314900     -0.3510000    
 C   -5.619100      0.1190000      1.7899999E-02
 C    5.652700      0.8751000      0.9265000    
 H    1.591000      -2.231000     -0.4099000    
 H   0.5443000       1.865600      0.5113000    
 H    2.875500       2.513000      0.2909000    
 H   -1.105000       1.268200     -0.4456000    
 H   -2.922700      -1.816600      0.5542000    
 H   -3.142200       2.333400     -0.6872000    
 H   -5.324300      -1.925500      0.6262000    
 H   -5.607400       2.182200     -0.6011000    
 H    3.908400      -2.749800     -0.8043000    
 H    5.151400      -1.516600     -0.7574000    
 H   -6.702700      5.5100001E-02  5.5000000E-02
 H    5.680400     -0.1367000       1.343000    
 H    5.251200       1.574100       1.666900    
 H    6.673400       1.178100      0.6778000    


%chk=000008426-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000008426

0 1
O 5.078184 0.309796 0.153587
O -0.900907 -2.047849 0.013848
N -1.439949 0.238117 -0.032789
N 4.203969 -2.073915 -0.662701
C 0.912795 -0.432493 0.093515
C 3.245639 -1.146275 -0.276478
C 1.858202 -1.411833 -0.300846
C 3.679144 0.147598 0.168728
C 1.362979 0.833714 0.546478
C -0.537184 -0.829297 0.030581
C 2.748676 1.118234 0.582778
C -2.861349 0.205818 -0.040027
C -3.615397 -0.997109 0.039181
C -3.539779 1.453462 -0.128482
C -5.025427 -0.930175 0.033174
C -4.947766 1.501619 -0.135789
C -5.702657 0.307835 -0.053675
C 5.615312 1.597195 0.595168
H 1.482071 -2.390159 -0.619544
H 0.665832 1.586191 0.932417
H 3.088036 2.092024 0.948516
H -1.025106 1.167818 -0.124136
H -3.089262 -1.951175 0.097241
H -2.961972 2.385410 -0.190682
H -5.599082 -1.861993 0.095260
H -5.454585 2.470673 -0.204867
H 3.935920 -3.003731 -0.968417
H 5.186425 -1.818583 -0.615889
H -6.797247 0.343728 -0.058786
H 5.353382 1.797139 1.652137
H 5.245296 2.422837 -0.042977
H 6.706908 1.508879 0.493378


