%chk=000050795.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000050795

0 1
 O    1.215300     -0.3296000     -4.3000001E-02
 O    1.323200       1.964000     -0.2080000    
 N   -2.177600      -1.607700     -0.5672000    
 N    7.490100      0.1558000      0.1459000    
 C  -0.8318000      -1.685600     -1.7600000E-02
 C   -2.988500     -0.6505000      0.1781000    
 C   -4.393500     -0.5736000     -0.4184000    
 C  -0.2055000     -0.2817000     -9.8200001E-02
 C   -5.310200      0.4094000      0.3164000    
 C  -3.4400001E-02  -2.700100     -0.8486000    
 C  -0.9108000      -2.165900       1.439100    
 C   -6.725800      0.4698000     -0.2620000    
 C   -7.574600       1.516600      0.4609000    
 C   -8.992000       1.560000     -8.7600000E-02
 C    1.856000      0.8697000     -0.1081000    
 C    3.327600      0.6834000     -4.2399999E-02
 C    4.174000       1.790900     -9.4700001E-02
 C    3.863600     -0.5993000      7.2099999E-02
 C    5.556300       1.615800     -3.2600001E-02
 C    5.246000     -0.7745000      0.1341000    
 C    6.092400      0.3331000      8.1799999E-02
 H   -2.582100      0.3643000      0.1383000    
 H   -3.107500     -0.9347000       1.227900    
 H   -2.623400      -2.524700     -0.5440000    
 H   -4.328000     -0.2780000      -1.473600    
 H   -4.855400      -1.569300     -0.3974000    
 H  -0.4735000      0.1935000      -1.052200    
 H  -0.5519000      0.3606000      0.7210000    
 H   -5.366100      0.1276000       1.375200    
 H   -4.860800       1.409600      0.2785000    
 H   6.1500002E-02  -2.373000      -1.890700    
 H  -0.5214000      -3.682800     -0.8525000    
 H   0.9758000      -2.845800     -0.4503000    
 H   -1.291800      -1.407500       2.130600    
 H   -1.528000      -3.066800       1.537800    
 H   9.0599999E-02  -2.426000       1.804500    
 H   -7.197600     -0.5164000     -0.1756000    
 H   -6.675800      0.7124000      -1.330400    
 H   -7.611800       1.290200       1.532900    
 H   -7.116200       2.506600      0.3539000    
 H   -9.490000      0.5930000      3.5399999E-02
 H   -9.580700       2.315200      0.4426000    
 H   -8.992800       1.814200      -1.152300    
 H    3.776300       2.798300     -0.1835000    
 H    3.242400      -1.489100      0.1169000    
 H    6.205600       2.486700     -7.4000001E-02
 H    5.652100      -1.778900      0.2237000    
 H    7.879200     -0.7741000      0.2269000    
 H    8.104400      0.9582000      0.1062000    


%chk=000050795-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000050795

0 1
O 1.332525 -0.566221 -0.833355
O 1.135441 1.450523 0.344124
N -2.250883 -1.648269 -0.417473
N 7.558571 0.400819 0.382465
C -0.783302 -1.736196 -0.149469
C -3.053646 -0.615530 0.276191
C -4.480134 -0.560027 -0.307153
C -0.142428 -0.616195 -1.017147
C -5.377028 0.484599 0.394208
C -0.302005 -3.115809 -0.655546
C -0.399315 -1.561221 1.345817
C -6.805186 0.551229 -0.192094
C -7.701997 1.601815 0.502055
C -9.125664 1.666929 -0.092179
C 1.858183 0.531386 -0.124888
C 3.332545 0.462357 -0.014999
C 4.011182 1.500365 0.680630
C 4.096448 -0.597308 -0.576220
C 5.406113 1.486221 0.815661
C 5.493197 -0.621612 -0.447703
C 6.174128 0.421272 0.252154
H -2.568307 0.368899 0.133663
H -3.119448 -0.776299 1.380233
H -2.696576 -2.573536 -0.355976
H -4.410259 -0.338845 -1.389916
H -4.951631 -1.563013 -0.220658
H -0.303558 -0.839334 -2.084098
H -0.560351 0.372890 -0.763061
H -5.436936 0.254001 1.478722
H -4.903176 1.485574 0.315711
H -0.648599 -3.286899 -1.691511
H -0.693526 -3.928991 -0.014524
H 0.799972 -3.165903 -0.641637
H -0.671217 -0.559434 1.721576
H -0.913293 -2.321494 1.963297
H 0.689515 -1.686070 1.482174
H -7.283566 -0.447711 -0.111558
H -6.746456 0.780420 -1.276680
H -7.761566 1.370710 1.585400
H -7.221194 2.598362 0.423600
H -9.639413 0.691293 0.001627
H -9.745398 2.425728 0.420334
H -9.094102 1.926162 -1.167425
H 3.415896 2.313589 1.109301
H 3.577703 -1.394751 -1.115553
H 5.914930 2.294451 1.354896
H 6.070516 -1.444424 -0.886815
H 8.109574 -0.353383 -0.017445
H 8.046618 1.142182 0.877040


