%chk=000127068.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000127068

0 1
 O   -1.812300      -1.541000     -4.3200001E-02
 O    5.318300       1.439700     -0.4421000    
 O   0.4648000      -2.289700       1.181700    
 N  -0.6077000     -0.8462000     -0.2634000    
 C   -4.102600       1.257000      0.5137000    
 C    1.756600     -0.5934000      0.1975000    
 C   -2.894100     -0.7017000     -0.1775000    
 C   -3.006000      0.4059000      0.6505000    
 C    2.974600      -1.255500      0.3506000    
 C    1.735400      0.7521000     -0.1698000    
 C   -5.075600      0.9915000     -0.4500000    
 C    4.150500      0.7733000     -0.2312000    
 C   -3.855400     -0.9763000      -1.139700    
 C   0.5088000      -1.306800      0.4205000    
 C    4.171700     -0.5722000      0.1362000    
 C    2.932500       1.435400     -0.3842000    
 C   -4.952100     -0.1251000      -1.276700    
 C   -4.234900       2.451200       1.397100    
 C    6.527300      0.7018000     -0.2700000    
 H   -2.253000      0.6069000       1.408300    
 H    3.011400      -2.305000      0.6319000    
 H   0.8094000       1.310200     -0.2739000    
 H   -5.935500       1.645900     -0.5654000    
 H   -3.761900      -1.844800      -1.785000    
 H    5.081500      -1.147000      0.2711000    
 H    2.910400       2.484900     -0.6650000    
 H   -5.709700     -0.3322000      -2.026700    
 H   -3.252200       2.856300       1.661500    
 H   -4.788300       3.254100      0.8982000    
 H   -4.763100       2.181300       2.316900    
 H  -0.6332000     -7.6700002E-02 -0.9239000    
 H    6.603400     -0.1197000     -0.9904000    
 H    6.646500      0.3600000      0.7637000    
 H    7.356200       1.386600     -0.4776000    


%chk=000127068-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000127068

0 1
O -1.843471 -1.119488 -1.427859
O 5.582337 1.210280 -0.276838
O -0.155119 -1.674718 0.716368
N -0.589413 -0.440293 -1.227507
C -4.031257 1.189990 0.629638
C 1.634184 -0.312970 -0.228866
C -2.958369 -0.493052 -0.774506
C -2.860148 0.652948 0.032337
C 2.641486 -0.986542 0.504495
C 1.980496 0.870529 -0.941056
C -5.275060 0.554196 0.394642
C 4.303193 0.651293 -0.212314
C -4.190503 -1.139508 -1.013364
C 0.247905 -0.888386 -0.184054
C 3.970320 -0.520249 0.516702
C 3.300591 1.348944 -0.935392
C -5.349575 -0.602101 -0.419048
C -3.931873 2.418568 1.518224
C 6.659078 0.545571 0.466359
H -1.885595 1.119636 0.203835
H 2.357894 -1.881005 1.069014
H 1.214308 1.450309 -1.468584
H -6.184669 0.960011 0.851633
H -4.222580 -2.035279 -1.640386
H 4.726799 -1.065230 1.088549
H 3.580507 2.262732 -1.467711
H -6.315981 -1.088699 -0.590916
H -3.429178 3.254702 0.997367
H -4.929279 2.767688 1.835744
H -3.344035 2.202659 2.430441
H -0.201717 -0.146775 -2.129141
H 6.819695 -0.486900 0.101242
H 6.445408 0.529821 1.552223
H 7.555317 1.152114 0.272428


