%chk=000060298.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000060298

2 1
 O  -0.1257000     -0.3069000     -0.6392000    
 O   0.2799000     -0.2600000       1.630400    
 N    3.215200      0.7078000     -0.1157000    
 N   -3.746200      0.2139000     -4.0800001E-02
 C    2.759600     -0.5352000     -0.7861000    
 C    1.844900      -1.360500      0.1205000    
 C   -2.483300     -0.5479000     -0.2124000    
 C    2.017300       1.565500      0.3150000    
 C    4.042000      0.3805000       1.135500    
 C    4.088400       1.547200      -1.058400    
 C   -1.340300      0.4223000     -0.4368000    
 C   0.5911000     -0.5819000      0.4911000    
 C    1.485200      -2.724300     -0.4692000    
 C   -4.031000       1.081000      -1.274700    
 C   -4.933300     -0.7382000      0.1581000    
 C   -3.663700       1.136700       1.182700    
 H    3.650900      -1.113600      -1.059800    
 H    2.250000     -0.2486000      -1.714600    
 H    2.352400      -1.593300       1.062700    
 H   -2.318400      -1.162800      0.6805000    
 H   -2.592800      -1.229100      -1.065200    
 H    2.394500       2.593900      0.4012000    
 H    1.269500       1.599900     -0.4764000    
 H    1.706800       1.331600       1.329100    
 H    4.480000       1.313400       1.504900    
 H    3.400800     -3.9999999E-02   1.913000    
 H    4.832800     -0.3201000      0.8521000    
 H    4.939600      0.9335000      -1.367900    
 H    3.481300       1.827400      -1.924300    
 H    4.434600       2.437500     -0.5250000    
 H   -1.467000      0.9950000      -1.359100    
 H   -1.200000       1.146600      0.3701000    
 H   0.7984000      -3.266200      0.1900000    
 H    2.382900      -3.335700     -0.6064000    
 H   0.9950000      -2.620100      -1.443200    
 H   -5.051400       1.468100      -1.188200    
 H   -3.338500       1.925600      -1.306700    
 H   -3.941500      0.4539000      -2.166400    
 H   -5.844400     -0.1456000      0.2824000    
 H   -5.008000      -1.377200     -0.7266000    
 H   -4.740300      -1.338900       1.051700    
 H   -2.996400       1.976200      0.9755000    
 H   -4.667200       1.527100       1.380900    
 H   -3.313800      0.5487000       2.036100    


%chk=000060298-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000060298

2 1
O -0.396523 -0.167330 -0.837640
O 0.058537 0.309349 1.396291
N 3.727441 0.715828 0.051258
N -4.166082 0.101987 -0.037780
C 2.752707 -0.192615 -0.749254
C 1.704600 -0.997871 0.073186
C -2.727687 -0.444799 -0.174871
C 2.978193 1.780924 0.852645
C 4.598939 -0.114798 0.997682
C 4.643991 1.409413 -0.966445
C -1.688336 0.564212 -0.711814
C 0.406218 -0.218865 0.318183
C 1.420903 -2.342090 -0.657425
C -4.729303 0.521491 -1.398986
C -5.037429 -1.029536 0.528764
C -4.214401 1.289870 0.929401
H 3.401331 -0.903315 -1.289570
H 2.260131 0.454808 -1.495283
H 2.098046 -1.230108 1.078936
H -2.425784 -0.785279 0.829976
H -2.782209 -1.316429 -0.849107
H 3.715281 2.413009 1.370903
H 2.387229 2.399918 0.159745
H 2.317283 1.300338 1.588515
H 5.359140 0.544160 1.443910
H 3.981482 -0.543695 1.799247
H 5.093450 -0.915222 0.426631
H 5.207080 0.647442 -1.526879
H 4.031488 2.008387 -1.657479
H 5.344089 2.065327 -0.427382
H -1.901887 0.900383 -1.737084
H -1.551400 1.421603 -0.031129
H 0.652383 -2.924563 -0.122326
H 2.338062 -2.955178 -0.689044
H 1.069191 -2.174917 -1.688606
H -5.784012 0.808275 -1.271185
H -4.165196 1.382052 -1.786547
H -4.658827 -0.326801 -2.096903
H -6.073214 -0.669555 0.620429
H -5.002438 -1.890752 -0.155670
H -4.655116 -1.317771 1.519741
H -3.688731 2.149966 0.489933
H -5.267210 1.559144 1.103096
H -3.741508 1.000802 1.880336


