%chk=000051796.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000051796

0 1
 O   -1.664000      -1.567900     -0.8649000    
 O    2.707700      -1.193700       2.290500    
 O    5.683100       3.391300     -0.7821000    
 C   -2.944100      0.2109000      1.4100000E-02
 C   -1.683700     -0.4724000     -6.1799999E-02
 C   0.3919000      -1.304500      3.3500001E-02
 C   -3.247000       1.242600     -0.8840000    
 C   -3.886000     -0.1442000      0.9882000    
 C  -0.4010000      -2.076700     -0.8091000    
 C  -0.4506000     -0.2668000      0.5124000    
 C    1.735100      -1.675900      0.2187000    
 C   -5.402500       1.546600      0.1641000    
 C   -4.471000       1.907500     -0.8093000    
 C   -5.110000      0.5207000       1.062800    
 C   5.0900001E-02  -3.205700      -1.490100    
 C   -2.275500       1.660200      -1.942000    
 C   -3.611400      -1.238700       1.969400    
 C    2.218500      -2.807200     -0.4528000    
 C    2.612700     -0.9100000       1.086000    
 C    1.389600      -3.556600      -1.291500    
 C   -6.712500       2.255100      0.2434000    
 C    3.432800      0.2368000      0.5879000    
 C    3.348600      0.5744000     -0.7422000    
 C    4.236300      0.9067000       1.480100    
 C    4.113000       1.644600      -1.207400    
 C    5.000400       1.976900       1.015000    
 C    4.938800       2.345900     -0.3288000    
 H  -0.1880000      0.5316000       1.192800    
 H   -4.705500       2.706800      -1.508500    
 H   -5.841200      0.2424000       1.818200    
 H  -0.5981000      -3.781800      -2.138700    
 H   -2.032800      0.8184000      -2.599100    
 H   -2.682000       2.454800      -2.577600    
 H   -1.356500       2.047500      -1.490000    
 H   -2.753000     -0.9847000       2.600000    
 H   -4.462700      -1.409800       2.637700    
 H   -3.417300      -2.183900       1.451500    
 H    3.254300      -3.114800     -0.3255000    
 H    1.792400      -4.429400      -1.799600    
 H   -7.456300       1.739100     -0.3718000    
 H   -7.077400       2.296300       1.275300    
 H   -6.625000       3.289400     -0.1062000    
 H    2.718000      5.3700000E-02  -1.454400    
 H    4.300600      0.6384000       2.529900    
 H    4.055900       1.922700      -2.256400    
 H    5.641700       2.519900       1.704100    
 H    5.517600       3.506700      -1.733600    


%chk=000051796-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000051796

0 1
O -1.592612 -2.015789 -0.454666
O 3.993703 -1.746494 1.504974
O 3.884463 4.228236 -0.792957
C -2.616737 0.196530 -0.007200
C -1.414884 -0.655115 -0.032002
C 0.649878 -1.666979 0.048866
C -2.579470 1.506445 -0.587188
C -3.823652 -0.274792 0.608250
C -0.323386 -2.618037 -0.386399
C -0.080112 -0.432462 0.272890
C 2.000615 -2.103537 0.215040
C -4.947669 1.858524 0.045393
C -3.745262 2.307615 -0.548093
C -4.959005 0.566218 0.623206
C -0.045879 -3.959426 -0.675894
C -1.334444 2.071325 -1.253649
C -3.908591 -1.636943 1.276823
C 2.286655 -3.468810 -0.044167
C 3.120199 -1.239954 0.728329
C 1.294834 -4.375384 -0.494427
C -6.193904 2.725441 0.044845
C 3.237375 0.192787 0.308376
C 2.698526 0.680221 -0.911900
C 4.000134 1.079423 1.121166
C 2.902961 2.016533 -1.307921
C 4.197556 2.417238 0.747939
C 3.647919 2.885821 -0.471580
H 0.327058 0.502831 0.646239
H -3.712297 3.307395 -0.999361
H -5.875143 0.204183 1.106551
H -0.828058 -4.645782 -1.011928
H -0.802276 1.307273 -1.847177
H -1.600681 2.909928 -1.919836
H -0.611534 2.457592 -0.509680
H -3.033337 -1.828853 1.923715
H -4.818361 -1.708982 1.896835
H -3.931901 -2.450593 0.530804
H 3.312829 -3.814011 0.116861
H 1.568496 -5.415158 -0.700536
H -6.809884 2.532642 -0.855295
H -6.828677 2.521375 0.924998
H -5.941263 3.800295 0.045235
H 2.135986 0.006296 -1.565481
H 4.436866 0.686922 2.045120
H 2.494580 2.376809 -2.261285
H 4.771636 3.109830 1.369903
H 3.481550 4.464569 -1.665538


