%chk=000040664.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000040664

0 1
 O  -0.1073000       1.420500       1.647400    
 N    3.339000     -0.6092000      1.5699999E-02
 C    1.077800      0.4051000     -0.1979000    
 C    2.099200     -0.2964000      0.7178000    
 C    1.639100       1.707600     -0.7982000    
 C  -0.1610000      0.7031000      0.6496000    
 C   0.6334000       2.429700      -1.685900    
 C   -1.458200      7.3200002E-02  0.2950000    
 C    3.083900      -1.528100      -1.094800    
 C    4.320900      -1.184700      0.9360000    
 C   -1.453500      -1.164500     -0.3148000    
 C   -2.627500      0.7451000      0.5870000    
 C   -2.672000      -1.756400     -0.6477000    
 C   -3.845900      0.1530000      0.2541000    
 C   -3.868000      -1.097800     -0.3632000    
 H   0.7996000     -0.2335000      -1.038100    
 H    1.648700      -1.202000       1.147700    
 H    2.324900      0.3658000       1.564700    
 H    2.529800       1.495400      -1.400200    
 H    1.951000       2.389500      2.7000001E-03
 H    1.102200       3.304900      -2.147400    
 H   0.2771000       1.775200      -2.487700    
 H  -0.2312000       2.781100      -1.114900    
 H    2.539000      -1.046000      -1.911700    
 H    2.536300      -2.423400     -0.7785000    
 H    4.030400      -1.857100      -1.540800    
 H    4.541800     -0.4859000       1.750700    
 H    5.269500      -1.371600      0.4203000    
 H    3.974100      -2.127700       1.374100    
 H  -0.5471000      -1.725800     -0.5139000    
 H   -2.625300       1.721600       1.062000    
 H   -2.690100      -2.734500      -1.119700    
 H   -4.777400      0.6660000      0.4747000    
 H   -4.816800      -1.559600     -0.6206000    


%chk=000040664-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000040664

0 1
O -0.415653 2.150509 0.939069
N 3.054054 -0.771666 -0.035741
C 1.030147 0.716677 -0.404161
C 1.805437 -0.247623 0.558593
C 1.874844 1.967160 -0.736041
C -0.305060 1.079848 0.268709
C 1.291093 2.808261 -1.891036
C -1.475650 0.133424 0.170531
C 2.821285 -1.787848 -1.078881
C 4.015875 -1.232537 0.986747
C -1.424691 -1.097358 -0.539787
C -2.682740 0.495033 0.830594
C -2.554331 -1.942718 -0.587868
C -3.810304 -0.346666 0.780894
C -3.749287 -1.570542 0.070449
H 0.815375 0.174133 -1.346181
H 1.130148 -1.078689 0.887953
H 2.072438 0.330562 1.463419
H 2.894295 1.619094 -0.985446
H 1.945628 2.592748 0.173789
H 1.943787 3.670911 -2.118597
H 1.193972 2.208661 -2.816975
H 0.292685 3.205318 -1.632279
H 2.228980 -1.362449 -1.908128
H 2.284600 -2.694727 -0.695921
H 3.788991 -2.115324 -1.498247
H 4.232856 -0.410055 1.690855
H 4.964033 -1.522834 0.499096
H 3.652312 -2.109957 1.579903
H -0.510520 -1.402556 -1.059183
H -2.702586 1.445255 1.374662
H -2.505183 -2.888782 -1.138175
H -4.734859 -0.055307 1.291255
H -4.625570 -2.227357 0.029626


