%chk=000005998.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000005998

0 1
 O   -5.099300      -1.051300      0.3433000    
 O    5.886000     -0.1579000      0.2460000    
 C   -2.696100     -0.6143000     -9.4899997E-02
 C   -1.986000      0.7357000     -0.4378000    
 C  -0.5336000      0.8200000      7.5999998E-02
 C   0.2227000     -0.4674000     -0.3252000    
 C   -4.011600     -0.1872000      0.6125000    
 C   -1.844800      -1.479900      0.8548000    
 C   -2.894000       1.840700      0.1229000    
 C  -0.4033000      -1.693300      0.3806000    
 C   -4.279100       1.221300      0.1033000    
 C   0.1920000       2.053700     -0.4697000    
 C   -2.979800      -1.400700      -1.392300    
 C    1.731900     -0.3704000     -0.1467000    
 C    1.583000       2.156000      0.1479000    
 C    2.365800      0.8725000      4.8099998E-02
 C    2.531800      -1.522700     -0.2556000    
 C    3.761900      0.9276000      0.1956000    
 C    3.918800      -1.453400     -0.1207000    
 C    4.533600     -0.2289000      0.1120000    
 H   -1.969600      0.8578000      -1.530800    
 H  -0.5432000      0.9017000       1.172800    
 H   7.9099998E-02 -0.6030000      -1.408000    
 H   -3.880300     -0.1442000       1.701200    
 H   -2.321500      -2.453800       1.023000    
 H   -1.800900      -1.000300       1.842300    
 H   -2.850200       2.754500     -0.4775000    
 H   -2.613100       2.097500       1.151400    
 H   0.1903000      -1.986300       1.256500    
 H  -0.3717000      -2.550800     -0.3040000    
 H   -4.988000       1.760100      0.7396000    
 H   -4.697900       1.203500     -0.9099000    
 H  -0.3646000       2.969700     -0.2424000    
 H   0.2718000       1.989500      -1.562700    
 H   -2.061400      -1.593600      -1.956200    
 H   -3.440700      -2.371600      -1.180000    
 H   -3.656300     -0.8469000      -2.052900    
 H    1.495900       2.423700       1.208300    
 H    2.127300       2.965300     -0.3537000    
 H   -4.871400      -1.926300      0.7007000    
 H    2.080600      -2.492400     -0.4506000    
 H    4.243900       1.887400      0.3701000    
 H    4.512100      -2.360200     -0.2013000    
 H    6.139800      0.7683000      0.3997000    


%chk=000005998-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000005998

0 1
O -5.240221 -1.041947 0.190103
O 5.984694 -0.247388 0.180718
C -2.702617 -0.630471 -0.090050
C -2.001280 0.756986 -0.417359
C -0.534972 0.839655 0.077176
C 0.220604 -0.456280 -0.323998
C -4.080608 -0.221908 0.570101
C -1.836221 -1.434578 0.915388
C -2.936913 1.858884 0.164528
C -0.389139 -1.694589 0.419747
C -4.343399 1.224218 0.126277
C 0.200448 2.082441 -0.468418
C -2.937242 -1.444953 -1.385892
C 1.742491 -0.350788 -0.157854
C 1.604452 2.196900 0.157378
C 2.396701 0.897034 0.047360
C 2.543913 -1.521117 -0.250106
C 3.808973 0.939627 0.162958
C 3.945595 -1.484042 -0.137182
C 4.579084 -0.239493 0.074305
H -1.980965 0.870114 -1.522862
H -0.535577 0.916611 1.187244
H 0.025492 -0.592047 -1.412611
H -3.961066 -0.256585 1.677469
H -2.326618 -2.402987 1.149193
H -1.795225 -0.874513 1.871363
H -2.885805 2.804482 -0.403212
H -2.649607 2.088174 1.211320
H 0.245004 -1.949435 1.290240
H -0.372512 -2.576455 -0.248594
H -5.082100 1.734770 0.767312
H -4.742375 1.208681 -0.905928
H -0.379193 3.000185 -0.252073
H 0.285112 2.001357 -1.571897
H -1.985376 -1.606169 -1.923430
H -3.375312 -2.438919 -1.175136
H -3.630813 -0.917948 -2.064616
H 1.498438 2.468953 1.228926
H 2.172811 3.021027 -0.315532
H -5.084601 -1.976782 0.477043
H 2.058851 -2.489602 -0.417163
H 4.303930 1.909312 0.318948
H 4.554725 -2.389505 -0.211573
H 6.328338 0.668792 0.326088


