%chk=000050642.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000050642

0 1
 O   -2.088600      -1.579400     -0.6208000    
 O   -1.679900      -2.941600       1.189200    
 O    7.897700       1.298900     -0.1588000    
 N   -4.770000      0.6034000     -0.3549000    
 C   -4.566700       2.020800      1.3000000E-03
 C   -5.175900       2.298300       1.389000    
 C   -6.179300      0.1956000     -0.3416000    
 C   -6.643200       1.888900       1.475500    
 C   -6.817600      0.4440000       1.025200    
 C   -4.127300      0.2297000      -1.611600    
 C   -5.073700       3.035800      -1.035000    
 C   -4.157100      -1.284600      -1.791900    
 C   -3.446300      -1.997300     -0.6492000    
 C   -1.312400      -2.131400      0.3528000    
 C   7.7200003E-02  -1.614000      0.2755000    
 C   0.2882000     -0.3388000     -0.2076000    
 C    1.114500      -2.424100      0.6897000    
 C    2.659300     -0.6520000      0.1328000    
 C    1.593500      0.1475000     -0.2798000    
 C    2.419900      -1.937800      0.6176000    
 C    4.013500     -0.1476000      5.8499999E-02
 C    4.257000       1.219000      0.1943000    
 C    5.074900      -1.028200     -0.1500000    
 C    5.562500       1.705200      0.1216000    
 C    6.380300     -0.5420000     -0.2224000    
 C    6.624100      0.8247000     -8.6800002E-02
 C    8.075500       2.707100     -1.2800000E-02
 H   -3.485500       2.185900      0.1042000    
 H   -4.608500       1.739300       2.145400    
 H   -5.073300       3.359100       1.646800    
 H   -6.304300     -0.8759000     -0.5166000    
 H   -6.751600      0.7137000      -1.120700    
 H   -7.255500       2.548500      0.8497000    
 H   -7.002200       2.004300       2.504400    
 H   -6.361800     -0.2241000       1.767600    
 H   -7.884400      0.1959000      0.9874000    
 H   -3.086500      0.5759000      -1.622400    
 H   -4.625800      0.6937000      -2.471600    
 H   -4.908800       4.058400     -0.6775000    
 H   -4.535400       2.940400      -1.983300    
 H   -6.142700       2.928100      -1.240700    
 H   -3.615200      -1.504900      -2.721700    
 H   -5.163100      -1.685900      -1.941600    
 H   -3.480400      -3.077800     -0.8333000    
 H   -3.925300      -1.799400      0.3160000    
 H  -0.5249000      0.3058000     -0.5280000    
 H   0.9397000      -3.425500       1.071900    
 H    1.733500       1.143900     -0.6898000    
 H    3.214700      -2.585100      0.9782000    
 H    3.465400       1.937600      0.3885000    
 H    4.931000      -2.095600     -0.2923000    
 H    5.681900       2.776500      0.2419000    
 H    7.202900      -1.231400     -0.3918000    
 H    7.581500       3.260900     -0.8183000    
 H    7.764100       3.051200      0.9793000    
 H    9.148500       2.907900     -9.8300003E-02


%chk=000050642-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000050642

0 1
O -2.093784 -1.532837 -0.750932
O -1.633701 -3.024156 0.981612
O 8.245073 1.298286 0.054178
N -5.177531 0.543673 -0.387343
C -4.749421 1.752771 0.381172
C -5.517494 1.793502 1.728030
C -6.637617 0.473796 -0.636046
C -7.050253 1.729407 1.532198
C -7.426002 0.489555 0.690271
C -4.356253 0.258342 -1.586763
C -4.869128 3.093889 -0.403405
C -4.230912 -1.258884 -1.867851
C -3.512877 -2.006954 -0.746919
C -1.246576 -2.128968 0.186890
C 0.137371 -1.580937 0.123557
C 0.516927 -0.567286 -0.794375
C 1.107529 -2.096165 1.021890
C 2.821719 -0.588951 0.089496
C 1.837578 -0.083664 -0.808953
C 2.424965 -1.606858 1.004688
C 4.216324 -0.071463 0.072123
C 4.501488 1.270686 -0.292747
C 5.318559 -0.906053 0.422185
C 5.819739 1.773423 -0.312176
C 6.636875 -0.425131 0.405483
C 6.895916 0.919989 0.037843
C 8.569404 2.674968 -0.329669
H -3.675361 1.601485 0.611876
H -5.198215 0.922631 2.333113
H -5.233862 2.707979 2.284259
H -6.853033 -0.462654 -1.183697
H -6.992316 1.312876 -1.289333
H -7.410544 2.646505 1.023898
H -7.555346 1.695207 2.516274
H -7.181460 -0.428813 1.258981
H -8.512325 0.474610 0.476100
H -3.339999 0.659108 -1.413664
H -4.752814 0.763795 -2.501703
H -4.438699 3.920672 0.191737
H -4.315179 3.044370 -1.358956
H -5.917766 3.354897 -0.632179
H -3.693351 -1.413206 -2.823499
H -5.236335 -1.708211 -1.987333
H -3.513000 -3.101897 -0.893136
H -3.958361 -1.768207 0.234889
H -0.226587 -0.179234 -1.496149
H 0.801573 -2.872016 1.731497
H 2.121185 0.672791 -1.549002
H 3.149034 -1.994215 1.729625
H 3.677323 1.951077 -0.534416
H 5.142664 -1.956264 0.679133
H 5.991781 2.818463 -0.586402
H 7.482474 -1.070518 0.661465
H 8.249714 2.888735 -1.368055
H 8.104351 3.405301 0.360688
H 9.664636 2.742257 -0.257248


