%chk=000055811.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000055811

0 1
 O  -0.7496000       2.857900      0.6814000    
 O   -2.728600      -1.802900       1.778300    
 N    1.876600      0.4027000     -0.2661000    
 C  -0.1081000       1.862000     -0.1141000    
 C    1.205500       1.421100      0.5434000    
 C    3.124000     -3.5000001E-03  0.3198000    
 C   -1.063100      0.7000000     -0.2776000    
 C    3.832000      -1.071800     -0.5049000    
 C   -1.453000     -1.6700000E-02  0.8406000    
 C   -1.526800      0.3792000      -1.541700    
 C    5.144300      -1.523700      0.1200000    
 C   -2.334100      -1.087600      0.6899000    
 C   -2.407700     -0.6917000      -1.692400    
 C   -2.811500      -1.425000     -0.5767000    
 H   0.1039000       2.320600      -1.088200    
 H    1.030600       1.055700       1.562700    
 H    1.850900       2.303100      0.6500000    
 H    2.950500     -0.4019000       1.327200    
 H    3.793100      0.8600000      0.4246000    
 H    2.029600      0.7592000      -1.208800    
 H    3.177900      -1.945100     -0.6203000    
 H    4.034700     -0.6899000      -1.513100    
 H   -1.095800      0.2496000       1.831300    
 H   -1.219600      0.9424000      -2.417800    
 H    4.977600      -1.949500       1.114500    
 H    5.617900      -2.288700     -0.5031000    
 H    5.840200     -0.6845000      0.2173000    
 H  -0.1256000       3.596600      0.7844000    
 H   -2.779300     -0.9546000      -2.678500    
 H   -3.498100      -2.258000     -0.7005000    
 H   -2.301900      -1.433800       2.570600    


%chk=000055811-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000055811

0 1
O -0.667839 2.588565 1.225040
O -4.550726 -0.478893 1.156975
N 2.140828 0.613971 -0.291255
C -0.080304 1.627643 0.274531
C 1.304308 1.143545 0.799888
C 3.371730 -0.088277 0.135949
C -1.093944 0.501434 0.078153
C 4.160436 -0.615466 -1.078555
C -2.350131 0.556805 0.725381
C -0.786026 -0.598650 -0.762979
C 5.451728 -1.354195 -0.667560
C -3.285898 -0.486004 0.534076
C -1.734980 -1.631421 -0.941655
C -2.991057 -1.586358 -0.300055
H 0.088507 2.137848 -0.703013
H 1.151165 0.345194 1.548749
H 1.789014 2.002420 1.338492
H 3.071808 -0.940788 0.777196
H 4.043989 0.557904 0.757016
H 2.345481 1.333486 -1.000165
H 3.501879 -1.286843 -1.661635
H 4.418150 0.234147 -1.745359
H -2.573504 1.414105 1.369880
H 0.196969 -0.643532 -1.241872
H 5.224112 -2.226369 -0.026416
H 5.999469 -1.722186 -1.553655
H 6.131549 -0.689043 -0.102329
H -0.002202 3.296055 1.415994
H -1.494839 -2.481935 -1.589805
H -3.737871 -2.374996 -0.431529
H -4.655301 0.333032 1.712714


