%chk=000068923.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000068923

0 1
 O   -4.374200      0.1951000     -0.5708000    
 O   -5.875700       1.924100     -0.6517000    
 O    6.555600       1.034100      0.5502000    
 C   -1.002300     -0.9015000      0.4026000    
 C   -1.814600      -2.168000      0.3920000    
 C   -3.255200      -1.746800      0.3611000    
 C   -1.896200      0.2141000     -0.2242000    
 C   -3.315700     -0.2183000      0.3064000    
 C   0.4168000     -0.9163000     -0.1634000    
 C   -2.699900      -2.647700     -0.7184000    
 C    1.252000      -2.034500      0.4121000    
 C    1.099100      0.4620000      0.1561000    
 C    2.745600      -1.887100      0.5298000    
 C   -1.277100       1.535600      0.2744000    
 C    2.172600      -2.824100     -0.4881000    
 C   0.1891000       1.677800     -0.1891000    
 C    2.552600      0.5246000     -0.4568000    
 C   -3.734100      0.3512000       1.658800    
 C   -1.926200      0.3098000      -1.779100    
 C    3.403200     -0.6111000      0.1613000    
 C   -4.473800       1.617600       1.295700    
 C    2.542600      0.3752000      -1.998800    
 C   -5.009700       1.293600     -6.4700000E-02
 C    3.204200       1.883600     -0.2167000    
 C    4.694800     -0.4151000      0.4927000    
 C    4.478500       2.067600      0.1424000    
 C    5.347700      0.9045000      0.3861000    
 H  -0.8971000     -0.6820000       1.478800    
 H   -1.514200      -2.883300       1.146700    
 H   -3.956100      -2.198600       1.050600    
 H   0.3502000      -1.078500      -1.242200    
 H   -2.513400      -2.310700      -1.722300    
 H   -3.003500      -3.690300     -0.6919000    
 H   0.7752000      -2.559700       1.231200    
 H    1.220700      0.5060000       1.251800    
 H    3.180400      -2.356500       1.410800    
 H   -1.289400       1.593900       1.368600    
 H   -1.851100       2.396200     -8.8500001E-02
 H    2.235500      -2.574800      -1.537800    
 H    2.261300      -3.888100     -0.2969000    
 H   0.2123000       1.877600      -1.264800    
 H   0.5846000       2.579000      0.2940000    
 H   -2.916100      0.5080000       2.366200    
 H   -4.444600     -0.3217000       2.157600    
 H  -0.9391000      0.2429000      -2.241000    
 H   -2.552800     -0.4397000      -2.260900    
 H   -2.352100       1.274200      -2.085400    
 H   -3.811000       2.483000       1.229000    
 H   -5.288000       1.816700       1.996700    
 H    3.561200      0.4056000      -2.408000    
 H    2.104700     -0.5634000      -2.341900    
 H    1.982800       1.184500      -2.481300    
 H    2.629900       2.777600     -0.4448000    
 H    5.291600      -1.211200      0.9273000    
 H    4.906600       3.059100      0.2291000    


%chk=000068923-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000068923

0 1
O -4.452366 0.302723 -0.456931
O -5.974525 2.054400 -0.387327
O 6.349314 1.309487 1.361767
C -0.985821 -0.945026 0.334698
C -1.835557 -2.221262 0.399284
C -3.309751 -1.744739 0.417249
C -1.908632 0.176499 -0.278782
C -3.303517 -0.216155 0.374155
C 0.437707 -0.952336 -0.273165
C -2.774064 -2.593723 -0.750022
C 1.282408 -2.117521 0.270776
C 1.091436 0.437705 0.039228
C 2.805992 -1.907523 0.455288
C -1.264152 1.527808 0.134793
C 2.254568 -2.857382 -0.643035
C 0.188269 1.619269 -0.414127
C 2.584934 0.511388 -0.512310
C -3.589779 0.387594 1.785233
C -2.043763 0.182704 -1.842586
C 3.397364 -0.558916 0.235288
C -4.375098 1.684112 1.505459
C 2.645201 0.281153 -2.067320
C -5.049785 1.426563 0.153056
C 3.175832 1.900694 -0.322571
C 4.602841 -0.264991 0.828356
C 4.375882 2.163933 0.264307
C 5.202760 1.079741 0.847349
H -0.844971 -0.659257 1.404644
H -1.511990 -3.017529 1.076794
H -4.050922 -2.209725 1.073632
H 0.348877 -1.068107 -1.370223
H -2.642273 -2.164983 -1.741237
H -3.128635 -3.629245 -0.763911
H 0.802610 -2.718968 1.050877
H 1.181323 0.502580 1.146259
H 3.267693 -2.440708 1.293960
H -1.226954 1.631480 1.237745
H -1.847948 2.382372 -0.260080
H 2.323497 -2.557990 -1.691192
H 2.424185 -3.925014 -0.474400
H 0.159173 1.672792 -1.519624
H 0.621014 2.572384 -0.059825
H -2.668367 0.549567 2.366295
H -4.222110 -0.316163 2.355463
H -1.245931 -0.391152 -2.343154
H -3.018636 -0.206462 -2.169175
H -1.988779 1.218865 -2.221430
H -3.718094 2.566848 1.404139
H -5.139229 1.925368 2.261105
H 3.697076 0.257172 -2.399609
H 2.165401 -0.659751 -2.375922
H 2.139584 1.106588 -2.600022
H 2.616033 2.721108 -0.790298
H 5.162837 -1.041643 1.364843
H 4.786039 3.179172 0.316837


