%chk=000022240.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000022240

0 1
 O   -2.650700       1.523100     -0.5583000    
 O    2.564400       2.287300     -0.3401000    
 O    4.313500      0.7339000       1.329400    
 O   -4.088500       1.325900       1.229400    
 C   0.9881000      0.4282000     -0.5250000    
 C   0.6137000     -0.9487000      0.1133000    
 C  -0.2481000       1.359600     -0.4269000    
 C    2.154400       1.070700      0.2875000    
 C   -1.521100      0.7728000      -1.052900    
 C   -1.822700     -0.6761000     -0.6871000    
 C    1.846000      -1.870100      0.2299000    
 C  -0.6007000      -1.561500     -0.5802000    
 C    3.368700      0.1465000      0.4337000    
 C    2.973500      -1.207000       1.011800    
 C    1.387500      0.2869000      -2.016900    
 C   -2.616700     -0.4736000      0.5611000    
 C  -0.6311000      -2.793600      -1.118000    
 C   -3.224300      0.8748000      0.5000000    
 C   -2.806000      -1.279200       1.609200    
 H   0.2956000     -0.7532000       1.149300    
 H  -5.3300001E-02   2.327900     -0.9057000    
 H  -0.4392000       1.603300      0.6277000    
 H    1.809100       1.342700       1.294200    
 H   -1.490600      0.8910000      -2.142500    
 H   -2.518100      -1.074900      -1.440100    
 H    2.215000      -2.157800     -0.7618000    
 H    1.572100      -2.798000      0.7475000    
 H    3.882700      1.9099999E-02 -0.5252000    
 H    2.671500      -1.085700       2.060700    
 H    3.849400      -1.867000       1.036300    
 H    2.295300     -0.3093000      -2.145800    
 H   0.6052000     -0.1925000      -2.613400    
 H    1.574600       1.266500      -2.470900    
 H    1.875700       2.953500     -0.1788000    
 H   0.2174000      -3.466100      -1.088900    
 H   -1.523300      -3.168500      -1.609900    
 H    4.541400       1.610600      0.9755000    
 H   -2.356800      -2.265700       1.647000    
 H   -3.414700     -0.9801000       2.455900    


%chk=000022240-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000022240

0 1
O -2.705681 1.578340 -0.573132
O 2.658096 2.321008 -0.280289
O 4.375617 0.773811 1.272735
O -4.138764 1.385115 1.260957
C 0.987111 0.432493 -0.561458
C 0.614182 -0.947614 0.117418
C -0.249336 1.372269 -0.447644
C 2.141832 1.053148 0.285660
C -1.524949 0.800166 -1.091584
C -1.822207 -0.677618 -0.682994
C 1.839702 -1.881798 0.254222
C -0.588571 -1.564856 -0.590014
C 3.375928 0.142640 0.402947
C 2.993063 -1.203908 1.029478
C 1.404620 0.270428 -2.044157
C -2.630909 -0.480685 0.598822
C -0.610899 -2.816082 -1.119626
C -3.265371 0.880240 0.534687
C -2.834491 -1.338833 1.626329
H 0.286203 -0.689004 1.152154
H -0.034917 2.352819 -0.913505
H -0.460619 1.556252 0.625862
H 1.762574 1.239526 1.316679
H -1.537478 0.940178 -2.182535
H -2.512706 -1.104599 -1.438509
H 2.192065 -2.195315 -0.747824
H 1.539139 -2.805256 0.784363
H 3.805144 -0.004092 -0.611328
H 2.695437 -1.019479 2.080536
H 3.883105 -1.857379 1.057002
H 2.230471 -0.450499 -2.169042
H 0.564993 -0.090654 -2.662348
H 1.751007 1.240042 -2.442721
H 2.032076 3.058914 -0.075486
H 0.247627 -3.491639 -1.065777
H -1.503339 -3.202729 -1.626577
H 4.498539 1.698506 0.928860
H -2.367968 -2.329905 1.646800
H -3.481427 -1.048252 2.462040


