%chk=000051595.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000051595

0 1
 O  -0.6711000      -2.556300      -1.387200    
 O   -6.398100       1.115100     -0.3332000    
 O   -5.480600       1.942600       1.486400    
 N    4.057100       2.226100     -0.2510000    
 N   0.5364000     -0.9630000     -0.2125000    
 N   -5.427800       1.234700      0.4524000    
 C    2.959100     -0.4766000     -0.5155000    
 C    3.243100      0.1625000      0.8582000    
 C    1.842300      -1.537100     -0.4456000    
 C    3.576400     -0.9174000       1.895800    
 C    2.690200      0.6216000      -1.552300    
 C    4.379800       1.192900      0.7448000    
 C    2.161300      -2.590000      0.6232000    
 C    2.473200      -1.969900       1.985800    
 C    3.834200       1.638900      -1.579300    
 C    5.118600       3.231100     -0.3078000    
 C  -0.6245000      -1.531700     -0.7116000    
 C   -1.884200     -0.8057000     -0.4065000    
 C   -2.953100     -0.9353000      -1.268600    
 C   -1.945000     -2.5599999E-02  0.7296000    
 C   -4.136000     -0.2540000     -0.9819000    
 C   -3.127900      0.6557000       1.016400    
 C   -4.223600      0.5414000      0.1607000    
 H    3.873600      -1.001800     -0.8318000    
 H    2.345200      0.6946000       1.202500    
 H    1.801400      -2.049800      -1.415500    
 H    3.719000     -0.4581000       2.881100    
 H    4.522700      -1.407900       1.634500    
 H    1.752600       1.145300      -1.327700    
 H    2.576700      0.1757000      -2.547600    
 H    4.519600       1.664100       1.725900    
 H    5.322100      0.6892000      0.4898000    
 H    3.032300      -3.173200      0.2974000    
 H    1.331100      -3.298500      0.7294000    
 H    2.775900      -2.757900       2.684900    
 H    1.565700      -1.512700       2.398800    
 H    4.747400       1.155800      -1.951200    
 H    3.570400       2.428200      -2.293800    
 H   0.5014000     -9.9500000E-02  0.3163000    
 H    6.079200       2.802000     -0.6150000    
 H    5.250400       3.707500      0.6700000    
 H    4.856200       4.028800      -1.011700    
 H   -2.899200      -1.546400      -2.164700    
 H   -1.131200      6.0400002E-02   1.441800    
 H   -4.968400     -0.3656000      -1.672100    
 H   -3.162700       1.259400       1.919700    


%chk=000051595-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000051595

0 1
O -0.638319 -2.566569 -1.361542
O -6.605193 0.981833 -0.335857
O -5.647514 2.080232 1.419181
N 4.112362 2.209967 -0.246700
N 0.571410 -0.936012 -0.227661
N -5.602691 1.247631 0.432665
C 3.009266 -0.495575 -0.542711
C 3.284537 0.124361 0.856308
C 1.886229 -1.567240 -0.495307
C 3.602203 -0.976974 1.895251
C 2.767508 0.609185 -1.595243
C 4.423069 1.162065 0.752130
C 2.208984 -2.656473 0.563862
C 2.484844 -2.046228 1.957082
C 3.924386 1.628415 -1.597643
C 5.104815 3.302371 -0.238317
C -0.607792 -1.491128 -0.679981
C -1.881035 -0.743793 -0.345981
C -3.018978 -1.013531 -1.149686
C -1.992201 0.171929 0.734374
C -4.242123 -0.363943 -0.906236
C -3.210204 0.827338 0.997203
C -4.316875 0.554125 0.164777
H 3.932648 -1.044295 -0.833972
H 2.381953 0.683689 1.190616
H 1.793236 -2.055609 -1.484546
H 3.752393 -0.521172 2.893976
H 4.560194 -1.466939 1.620135
H 1.826119 1.149812 -1.378550
H 2.663700 0.158866 -2.601872
H 4.575101 1.648983 1.734556
H 5.377452 0.622692 0.498367
H 3.104006 -3.212851 0.218498
H 1.374274 -3.379404 0.603286
H 2.763199 -2.846899 2.668232
H 1.553586 -1.587601 2.348216
H 4.862342 1.122608 -1.954892
H 3.705877 2.450477 -2.304483
H 0.558408 -0.027545 0.237574
H 6.135577 2.967575 -0.520329
H 5.156729 3.750813 0.770037
H 4.796406 4.091155 -0.947561
H -2.915344 -1.745809 -1.956111
H -1.143844 0.357942 1.402515
H -5.128288 -0.550206 -1.518173
H -3.321212 1.531329 1.825812


