%chk=000005832.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000005832

0 1
 O    3.926800     -0.5148000     -0.5887000    
 O   -6.254000     -0.8932000       1.373500    
 O    5.425400      0.2102000       1.013000    
 C    1.488500     -0.1514000     -0.5764000    
 C   0.6380000      0.8936000      0.1810000    
 C  -0.7574000       1.073400     -0.4224000    
 C   -1.508000     -0.3018000     -0.3778000    
 C    2.842400     -1.8200001E-02  0.1847000    
 C   0.7676000      -1.509700     -0.4935000    
 C    1.559100       2.107300      0.2712000    
 C  -0.6760000      -1.432500      -1.025300    
 C   -2.915600     -0.1302000      -1.010200    
 C    2.978500       1.514200      0.3869000    
 C   -1.562800       2.172500      0.2994000    
 C    1.706400      0.1929000      -2.079800    
 C   -2.990400       2.285900     -0.2436000    
 C   -3.646400      0.9319000     -0.2077000    
 C   -3.760700      -1.406000      -1.144900    
 C    2.853000     -0.7052000       1.491300    
 C   -4.400800      -1.823500      0.1674000    
 C   -4.728100      0.6949000      0.5496000    
 C   -5.230200     -0.6901000      0.7243000    
 C    5.172300     -0.3330000     -5.3700000E-02
 C    2.862100      -1.263900       2.553800    
 C    6.210200     -0.9033000     -0.9723000    
 H   0.4837000      0.5456000       1.214800    
 H  -0.6652000       1.389500      -1.469000    
 H   -1.636400     -0.5762000      0.6805000    
 H   0.7116000      -1.859500      0.5439000    
 H    1.324000      -2.275200      -1.047700    
 H    1.319700       2.734300       1.136400    
 H    1.482900       2.736400     -0.6229000    
 H  -0.6706000      -1.314300      -2.114600    
 H   -1.148200      -2.400900     -0.8239000    
 H   -2.779000      0.2488000      -2.033500    
 H    3.622800       1.973900     -0.3727000    
 H    3.403800       1.776000       1.363500    
 H   -1.063900       3.141800      0.1847000    
 H   -1.597600       1.958500       1.375700    
 H    2.243500       1.136200      -2.220700    
 H    2.295900     -0.5898000      -2.571800    
 H   0.7714000      0.2780000      -2.639000    
 H   -2.974400       2.656500      -1.275600    
 H   -3.546000       3.021500      0.3495000    
 H   -3.184900      -2.234100      -1.567800    
 H   -4.563800      -1.206800      -1.869200    
 H   -3.649300      -2.109100      0.9106000    
 H   -5.058300      -2.682000     -7.4999998E-03
 H   -5.219400       1.477700       1.116500    
 H    2.869900      -1.759500       3.496200    
 H    6.169300     -0.3938000      -1.938200    
 H    6.045800      -1.976700      -1.095300    
 H    7.202500     -0.7496000     -0.5387000    


%chk=000005832-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000005832

0 1
O 3.949932 -0.542952 -0.569618
O -6.269618 -1.036965 1.471561
O 5.614475 0.267902 0.868294
C 1.503487 -0.080508 -0.569415
C 0.626606 0.963255 0.193729
C -0.780032 1.116540 -0.415691
C -1.496182 -0.278078 -0.389694
C 2.842834 0.067557 0.255785
C 0.807722 -1.458910 -0.514388
C 1.542867 2.209447 0.317866
C -0.639853 -1.378963 -1.071890
C -2.926180 -0.134390 -1.030740
C 2.991780 1.625885 0.431651
C -1.616015 2.195125 0.315919
C 1.779823 0.319619 -2.044123
C -3.066197 2.292363 -0.247922
C -3.686817 0.913933 -0.226904
C -3.752379 -1.435420 -1.185046
C 2.797302 -0.627262 1.555986
C -4.396224 -1.893518 0.141760
C -4.767176 0.601487 0.558958
C -5.245608 -0.781936 0.765377
C 5.276607 -0.401491 -0.130052
C 2.752023 -1.199944 2.645531
C 6.199762 -1.186995 -1.038700
H 0.482556 0.558542 1.220451
H -0.684547 1.433043 -1.478380
H -1.620991 -0.558822 0.680372
H 0.771070 -1.806636 0.536301
H 1.386875 -2.210889 -1.084456
H 1.283612 2.824095 1.196966
H 1.445930 2.856876 -0.574473
H -0.622194 -1.202182 -2.166729
H -1.119195 -2.365022 -0.925630
H -2.754586 0.280281 -2.049368
H 3.647524 2.012385 -0.368393
H 3.475857 1.864604 1.389582
H -1.122386 3.181528 0.226751
H -1.665682 1.951538 1.396807
H 2.269434 1.304432 -2.132569
H 2.443367 -0.424748 -2.514429
H 0.844217 0.358953 -2.626537
H -3.014918 2.673439 -1.288974
H -3.660986 3.010020 0.345376
H -3.135084 -2.245503 -1.612343
H -4.562606 -1.241464 -1.915591
H -3.613047 -2.170438 0.878037
H -5.032640 -2.784852 0.002671
H -5.298468 1.381357 1.119754
H 2.734938 -1.687469 3.602858
H 5.946718 -1.013293 -2.097622
H 6.078662 -2.267490 -0.841917
H 7.243335 -0.900868 -0.842748


