%chk=000052971.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000052971

0 1
 O    4.150700       2.020300     -0.2514000    
 N   0.2703000      -3.011500     -8.2000002E-02
 N   -4.086600      0.8964000     -7.1800001E-02
 C   -1.005500      -1.268800      0.4302000    
 C   -2.178800     -0.4492000      0.7950000    
 C   0.3188000     -0.7996000      0.2045000    
 C   -2.947000      6.3100003E-02 -0.4398000    
 C    1.099100      -1.912800     -0.1151000    
 C   -1.003600      -2.632400      0.2468000    
 C   0.9305000      0.4692000      0.2415000    
 C    2.466000      -1.820300     -0.4006000    
 C    2.296900      0.5770000     -4.1700002E-02
 C    3.050900     -0.5515000     -0.3577000    
 C   -4.762900       1.400700      -1.267900    
 C   -3.657800       2.009200      0.7768000    
 C    2.935900       1.883500     -5.5000000E-03
 C    2.123300       3.126700      0.3386000    
 H   -2.857400      -1.035300       1.428800    
 H   -1.815100      0.3762000       1.416300    
 H   -3.300500     -0.8027000      -1.015200    
 H   -2.256400      0.6138000      -1.093800    
 H   -1.792800      -3.367700      0.3194000    
 H   0.5608000      -3.960400     -0.2730000    
 H   0.3192000       1.330500      0.4883000    
 H    3.053600      -2.698400     -0.6466000    
 H    4.113000     -0.4721000     -0.5786000    
 H   -5.105500      0.5702000      -1.895200    
 H   -4.112200       2.043900      -1.871600    
 H   -5.655900       1.973200     -0.9934000    
 H   -4.479400       2.723300      0.9131000    
 H   -2.809300       2.558800      0.3529000    
 H   -3.408200       1.675700       1.788800    
 H    1.712900       3.043500       1.348400    
 H    1.331900       3.278400     -0.4000000    
 H    2.780700       4.001700      0.3129000    


%chk=000052971-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000052971

0 1
O 4.222963 1.986763 -0.341301
N 0.325466 -3.128936 -0.046842
N -4.053672 0.979994 -0.086058
C -1.021757 -1.347430 0.468386
C -2.229796 -0.516266 0.823559
C 0.328028 -0.863076 0.208873
C -2.796233 0.260587 -0.395927
C 1.147741 -2.005621 -0.110996
C -0.978600 -2.730368 0.303448
C 0.921475 0.421427 0.226288
C 2.525426 -1.886453 -0.413627
C 2.299642 0.557448 -0.071485
C 3.084828 -0.601620 -0.391172
C -4.765972 1.395026 -1.313147
C -3.865759 2.114453 0.841209
C 2.987366 1.887701 -0.068219
C 2.178855 3.139889 0.272769
H -3.040762 -1.155171 1.218473
H -1.963012 0.196161 1.628382
H -3.013196 -0.469723 -1.197764
H -2.008464 0.952710 -0.795464
H -1.777171 -3.462014 0.413592
H 0.622386 -4.087670 -0.214723
H 0.315033 1.299580 0.472536
H 3.137781 -2.761819 -0.656566
H 4.144292 -0.442546 -0.616495
H -4.961283 0.511705 -1.946969
H -4.200225 2.142353 -1.926790
H -5.738902 1.844276 -1.044048
H -4.841458 2.593490 1.037727
H -3.170500 2.897477 0.439833
H -3.466639 1.763953 1.808031
H 1.748455 3.071042 1.289266
H 1.340668 3.279036 -0.435189
H 2.842597 4.016244 0.221812


