%chk=000008831.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000008831

0 1
 O    2.909800     -0.5748000     -0.1422000    
 O   -2.885100     -3.9299998E-02  0.5496000    
 O   0.8867000      0.3979000     -0.6731000    
 O   -3.974500      -1.764100     -0.5310000    
 C  -0.3328000      -2.232900     -0.5622000    
 C  -0.7750000      -1.959900      0.8809000    
 C    1.167600      -2.016700     -0.7615000    
 C   -2.259100      -2.243600       1.097600    
 C    4.939300      0.5839000      0.5090000    
 C   -3.274500       2.334700      0.2383000    
 C    3.472200      0.7201000      9.2399999E-02
 C   -3.669800      0.9141000     -0.1737000    
 C    1.597700     -0.5862000     -0.5222000    
 C   -3.145900      -1.347800      0.2684000    
 C    5.765200     -0.1086000     -0.5772000    
 C    5.530600       1.954100      0.8327000    
 C   -1.797600       2.608900     -5.2900001E-02
 C   -4.154900       3.360100     -0.4728000    
 H  -0.8861000      -1.585000      -1.252400    
 H  -0.5770000      -3.268400     -0.8284000    
 H  -0.5507000     -0.9247000       1.160400    
 H  -0.1978000      -2.599800       1.559700    
 H    1.448800      -2.280700      -1.786600    
 H    1.715600      -2.674900     -7.7000000E-02
 H   -2.527400      -2.106500       2.151000    
 H   -2.484500      -3.285200      0.8410000    
 H    4.989000     -4.3499999E-02   1.408000    
 H   -3.419100       2.436600       1.321400    
 H    2.904500       1.213400      0.8907000    
 H    3.390600       1.319900     -0.8226000    
 H   -4.729700      0.7444000      5.1199999E-02
 H   -3.508800      0.7713000      -1.249500    
 H    6.813000     -0.1959000     -0.2704000    
 H    5.393800      -1.119700     -0.7733000    
 H    5.733800      0.4526000      -1.517400    
 H    4.967800       2.440300       1.636600    
 H    6.570700       1.860900       1.162800    
 H    5.510700       2.613200     -4.1999999E-02
 H   -1.531300       3.634600      0.2239000    
 H   -1.152600       1.936000      0.5209000    
 H   -1.570200       2.475100      -1.115900    
 H   -5.211800       3.193600     -0.2394000    
 H   -3.900000       4.377400     -0.1573000    
 H   -4.034300       3.302500      -1.560000    


%chk=000008831-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000008831

0 1
O 3.048472 -0.567262 -0.009332
O -3.107310 -0.070166 0.592799
O 0.972356 0.438630 -0.316654
O -4.032077 -1.737951 -0.749276
C -0.313392 -2.189927 -0.493986
C -0.883438 -2.013787 0.931663
C 1.218462 -2.019622 -0.557910
C -2.400463 -2.326991 1.018022
C 5.148513 0.578111 0.500799
C -3.291029 2.334471 0.155003
C 3.650399 0.779481 0.236782
C -3.919031 0.961258 -0.122019
C 1.680599 -0.594640 -0.286079
C -3.264584 -1.394687 0.180947
C 5.867381 -0.015911 -0.731452
C 5.773925 1.929596 0.923625
C -1.904168 2.467465 -0.513346
C -4.261088 3.439876 -0.329637
H -0.788412 -1.457978 -1.174158
H -0.571525 -3.198154 -0.873301
H -0.707610 -0.979472 1.276814
H -0.352485 -2.694025 1.628111
H 1.592871 -2.295023 -1.564440
H 1.732015 -2.694854 0.151682
H -2.726581 -2.240836 2.071974
H -2.605926 -3.356266 0.676027
H 5.245486 -0.135304 1.343863
H -3.168552 2.429830 1.252980
H 3.132932 1.236023 1.100873
H 3.469166 1.413260 -0.652417
H -4.953633 0.894486 0.265194
H -3.932661 0.720724 -1.201544
H 6.935051 -0.198893 -0.511641
H 5.407079 -0.971994 -1.034726
H 5.813181 0.681950 -1.589599
H 5.292177 2.339145 1.831222
H 6.850660 1.806040 1.137840
H 5.677385 2.681153 0.116529
H -1.440427 3.438291 -0.257900
H -1.213289 1.667187 -0.199909
H -2.001022 2.421963 -1.616189
H -5.240240 3.382945 0.182479
H -3.832873 4.439616 -0.134747
H -4.439396 3.359645 -1.419464


