%chk=000005299.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000005299

0 1
 O  -0.4962000       1.649400       1.486200    
 O   -3.098600      0.9601000       1.666000    
 O   -4.571700     -5.5500001E-02 -0.4686000    
 O   -3.717900      -2.665300     -0.4557000    
 O   0.4313000       2.780800      -1.281200    
 O    1.355200      -1.905000     -0.4153000    
 O    5.224800      0.3952000      0.5381000    
 N    1.330300      0.3912000     -0.2968000    
 N    3.337900     -0.8079000      7.1099997E-02
 N    4.020000      0.5007000      0.2846000    
 C  -0.9589000      0.5727000      0.6586000    
 C   -2.461300      0.7957000      0.3916000    
 C  -7.4600004E-02  0.5157000     -0.5942000    
 C   -3.171600     -0.3266000     -0.3836000    
 C   -3.010200      -1.685200      0.2975000    
 C  -0.2331000       1.760700      -1.446400    
 C    1.966500     -0.8484000     -0.2259000    
 C    4.128200      -2.028200      0.1739000    
 H  -0.8051000     -0.3299000       1.260400    
 H   -2.617600       1.751200     -0.1226000    
 H  -0.3694000     -0.3332000      -1.221200    
 H   -2.794500     -0.3766000      -1.411000    
 H   -1.963400      -1.995900      0.3455000    
 H   -3.436900      -1.678000       1.305600    
 H    1.844400       1.242500     -9.9299997E-02
 H   -1.036900       1.724400      -2.201800    
 H   -1.051600       1.662000       2.284400    
 H   -4.046100       1.103800       1.500400    
 H   -4.980800     -0.7842000     -0.9661000    
 H   -3.601000      -3.515400      1.9000000E-03
 H    4.556900      -2.093700       1.178500    
 H    4.927000      -2.001400     -0.5734000    
 H    3.513500      -2.914700     -2.6000000E-03


%chk=000005299-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000005299

0 1
O -0.785261 2.107691 1.341672
O -3.177368 0.939625 1.496311
O -4.405918 -0.528515 -0.352131
O -3.334541 -2.915814 -0.192853
O 1.010708 3.080503 -1.343765
O 0.853618 -1.690286 -0.215443
O 5.146344 -0.114766 0.240661
N 1.330172 0.591055 -0.370735
N 3.077168 -0.959360 0.043343
N 3.918194 0.162196 0.032947
C -0.988986 0.872757 0.575408
C -2.484301 0.748691 0.213920
C -0.048472 0.980557 -0.655381
C -2.931741 -0.591586 -0.409105
C -2.453295 -1.848656 0.336014
C -0.042232 2.433124 -1.158796
C 1.668348 -0.717454 -0.189828
C 3.592497 -2.319243 0.272084
H -0.693750 -0.004233 1.183622
H -2.783500 1.561543 -0.483195
H -0.453174 0.332959 -1.462860
H -2.609663 -0.654215 -1.468830
H -1.390627 -2.055482 0.112666
H -2.604515 -1.730656 1.428137
H 2.051368 1.325363 -0.379023
H -1.045274 2.866762 -1.367399
H -1.531960 2.161830 1.997920
H -4.117404 0.646651 1.337511
H -4.720741 -1.470364 -0.439011
H -3.070234 -3.794314 0.170866
H 4.079892 -2.375457 1.260614
H 4.344087 -2.570659 -0.495828
H 2.739161 -3.009248 0.219087


