%chk=000056243.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000056243

0 1
 O    4.956700     -3.6499999E-02  0.3918000    
 O   -5.111900      9.0200000E-02 -0.6768000    
 N   -1.300100      -1.474800      0.3317000    
 N   -1.309400       1.999600     -0.3048000    
 C  -0.6270000     -0.2937000      0.1486000    
 C   -1.564600      0.6919000     -7.7799998E-02
 C   -2.842400      8.2000002E-02 -2.8500000E-02
 C   -2.649200      -1.257700      0.2266000    
 C   0.8129000     -0.2280000      0.2069000    
 C    1.566600     -0.4133000     -0.9521000    
 C    2.959000     -0.3494000     -0.8962000    
 C    1.451300      2.1199999E-02   1.421700    
 C   -3.610400      -2.367100      0.3831000    
 C   -4.127500      0.6996000     -0.2043000    
 C    3.597500     -0.1003000      0.3187000    
 C    2.843600      8.5199997E-02   1.477600    
 C    3.750100     -0.5507000      -2.146600    
 C   -4.351900       2.159800      0.1857000    
 C    5.556700       1.242100      0.1948000    
 H  -0.8667000      -2.369600      0.5162000    
 H    1.069400     -0.6055000      -1.900800    
 H   0.8782000      0.1680000       2.334100    
 H   -3.127300      -3.273100      0.7642000    
 H   -4.404100      -2.096300       1.086800    
 H   -4.071400      -2.612600     -0.5789000    
 H    3.334100      0.2787000       2.427800    
 H  -0.3632000       2.369500     -0.3139000    
 H   -2.020600       2.688000     -0.5192000    
 H    4.067700      0.4142000      -2.553600    
 H    4.633600      -1.170200      -1.960100    
 H    3.161600      -1.065800      -2.913800    
 H   -4.137200       2.807100     -0.6676000    
 H   -3.737000       2.431000       1.047600    
 H   -5.399400       2.292500      0.4744000    
 H    5.255000       1.930300      0.9907000    
 H    5.286200       1.657300     -0.7807000    
 H    6.642700       1.119800      0.2327000    


%chk=000056243-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000056243

0 1
O 5.084644 -0.444789 0.050599
O -5.324261 0.049099 0.249950
N -1.380811 -1.359148 0.894815
N -1.300457 1.757121 -0.935166
C -0.646104 -0.345119 0.230498
C -1.604493 0.571604 -0.261729
C -2.931091 0.076332 0.104707
C -2.734749 -1.141626 0.824613
C 0.815235 -0.348391 0.188654
C 1.527560 0.224335 -0.907667
C 2.940638 0.240454 -0.973571
C 1.581074 -0.952599 1.231445
C -3.727213 -2.098276 1.413528
C -4.263177 0.621576 -0.173376
C 3.664935 -0.360769 0.093471
C 2.987079 -0.964331 1.176046
C 3.661898 0.833780 -2.169321
C -4.396454 1.907408 -0.997363
C 5.782727 0.763791 0.522379
H -0.952259 -2.196488 1.287972
H 0.964615 0.601986 -1.770328
H 1.077157 -1.380448 2.106773
H -3.218679 -2.965233 1.875876
H -4.352948 -1.599042 2.173677
H -4.432132 -2.459449 0.644778
H 3.579368 -1.436045 1.967411
H -0.332769 2.071042 -0.957637
H -2.020981 2.455044 -1.086415
H 3.909953 1.901462 -2.007898
H 4.609462 0.300303 -2.356457
H 3.036995 0.776456 -3.077329
H -3.875392 1.822095 -1.969959
H -3.980430 2.774066 -0.444449
H -5.465372 2.099071 -1.178375
H 5.517627 0.986120 1.574937
H 5.542593 1.643974 -0.106489
H 6.857812 0.538035 0.447401


