%chk=000031605.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000031605

0 1
 O    1.390300      0.8096000      5.0000002E-04
 O   -2.636900       2.829600      0.2739000    
 O   -2.498300     -0.7907000      0.2780000    
 O  -0.2174000     -0.3834000      -1.116500    
 O   -4.182100      -3.853100      0.2815000    
 O   -2.109300      -3.321400      0.7904000    
 N    4.670400     -0.8680000      0.1124000    
 N   -1.605400       3.760700      0.2646000    
 N   -3.267800      -2.986600      0.4055000    
 C    3.670000      0.1730000      0.3456000    
 C    4.850800      -1.091500      -1.321600    
 C    5.941700     -0.5041000      0.7368000    
 C    2.334000     -0.2201000     -0.2643000    
 C    5.842200      -2.212700      -1.582000    
 C    5.773100     -0.2680000       2.228200    
 C  -0.7982000       1.711100     -0.1757000    
 C   -2.131600       1.598300      6.5000001E-03
 C   0.1209000      0.6125000     -0.4851000    
 C  -0.5049000       3.054700     -1.0200000E-02
 C   -2.958000      0.4453000     -4.9600001E-02
 C   0.7955000       3.740100     -9.8200001E-02
 C   -4.280900      0.3865000     -0.4207000    
 C   -4.658600     -0.9734000     -0.3144000    
 C   -3.539400      -1.648500      0.1143000    
 H    3.989500       1.145700     -5.2400000E-02
 H    3.478300      0.3249000       1.413500    
 H    3.926500      -1.439200      -1.790000    
 H    5.169400     -0.1815000      -1.845000    
 H    6.663400      -1.322600      0.6469000    
 H    6.388100      0.3841000      0.2721000    
 H    1.976400      -1.163600      0.1656000    
 H    2.385300     -0.3099000      -1.352300    
 H    6.877200      -1.906600      -1.400900    
 H    5.621700      -3.099300     -0.9774000    
 H    5.787600      -2.514600      -2.634300    
 H    5.297100      0.6922000       2.449900    
 H    5.201600      -1.070900       2.706500    
 H    6.758600     -0.2417000       2.707300    
 H    1.414800       3.503900      0.7732000    
 H    1.337200       3.437400      -1.000300    
 H   0.6772000       4.828400     -0.1376000    
 H   -4.904500       1.213500     -0.7312000    
 H   -5.628400      -1.401200     -0.5255000    


%chk=000031605-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000031605

0 1
O 1.445960 0.844343 -0.120415
O -2.740341 2.779223 -0.235215
O -2.686212 -0.785099 0.493940
O -0.127120 -0.660585 -0.963241
O -4.723393 -3.672335 1.070470
O -2.508419 -3.282648 1.556774
N 4.921087 -0.554059 -0.018999
N -1.647332 3.759488 -0.357819
N -3.656707 -2.930974 1.087259
C 3.819853 0.414976 0.188084
C 5.486728 -0.507084 -1.395378
C 5.954082 -0.526663 1.050327
C 2.495877 -0.216643 -0.257751
C 6.087460 -1.852241 -1.845401
C 5.474378 -1.168895 2.365557
C -0.792070 1.595249 -0.342202
C -2.181733 1.496110 -0.233078
C 0.158492 0.471375 -0.509130
C -0.514407 3.018993 -0.402357
C -3.129468 0.420687 -0.079496
C 0.802553 3.728268 -0.528776
C -4.497751 0.338572 -0.366698
C -4.932757 -0.968795 0.020987
C -3.809454 -1.610439 0.535405
H 3.982037 1.373277 -0.361075
H 3.747300 0.669556 1.259916
H 4.666952 -0.240426 -2.089050
H 6.253333 0.303028 -1.490337
H 6.828180 -1.093288 0.682372
H 6.312710 0.515872 1.245102
H 2.222872 -1.076756 0.376415
H 2.520097 -0.553314 -1.309588
H 6.931043 -2.163744 -1.203313
H 5.319528 -2.643845 -1.803273
H 6.466671 -1.778400 -2.881714
H 4.605602 -0.636496 2.794140
H 5.177461 -2.217281 2.190412
H 6.281821 -1.149306 3.121025
H 1.454640 3.480458 0.324756
H 1.332668 3.410158 -1.443117
H 0.639089 4.817109 -0.566196
H -5.096777 1.129754 -0.811490
H -5.927432 -1.398282 -0.059835


