%chk=000068873.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000068873

0 1
 O    4.264000      0.5688000      0.7167000    
 O    6.471600       1.175200      0.5853000    
 O   -6.783500      0.5926000     -0.2920000    
 C    1.001400     -0.7451000     -0.3565000    
 C    1.871600      -1.963700     -0.2316000    
 C    3.285900      -1.462800     -0.1843000    
 C    1.806800      0.4523000      0.2345000    
 C  -0.4400000     -0.7959000      0.1470000    
 C    3.270500      7.4199997E-02 -0.1946000    
 C    2.748000      -2.328400      0.9299000    
 C   -1.201200      -1.975200     -0.4062000    
 C   -1.166700      0.5230000     -0.2878000    
 C   -2.693400      -1.889400     -0.5866000    
 C    1.153300       1.701500     -0.3932000    
 C   -2.122400      -2.765400      0.4901000    
 C   -2.646900      0.5711000      0.2590000    
 C  -0.3366000       1.808400     -3.8000001E-03
 C    3.728400      0.6199000      -1.542800    
 C   -3.437100     -0.6568000     -0.2399000    
 C    1.749000      0.6526000       1.777200    
 C   -3.353500       1.850400     -0.2714000    
 C    5.237500      0.6071000      -1.418700    
 C   -2.679600      0.5922000       1.808000    
 C    5.428800      0.8327000      5.0299998E-02
 C   -4.767300     -0.5967000     -0.4477000    
 C   -4.833000       1.920100      8.8500001E-02
 C   -5.555700      0.6372000     -0.2292000    
 H   0.9371000     -0.5988000      -1.448500    
 H    1.634100      -2.739900     -0.9478000    
 H    4.020000      -1.910800     -0.8410000    
 H  -0.4176000     -0.8968000       1.234900    
 H    2.518900      -1.941200       1.906400    
 H    3.108000      -3.352300      0.9740000    
 H  -0.6716000      -2.511900      -1.184400    
 H   -1.246000      0.4806000      -1.387300    
 H   -3.079700      -2.398000      -1.467400    
 H    1.208700       1.665800      -1.488300    
 H    1.680000       2.612500     -8.4299996E-02
 H   -2.231100      -2.468700       1.525300    
 H   -2.164800      -3.838300      0.3404000    
 H  -0.4160000       2.090800       1.050200    
 H  -0.7580000       2.646700     -0.5709000    
 H    3.424900       1.664000      -1.675700    
 H    3.370000      4.7300000E-02  -2.403400    
 H    2.134600       1.646800       2.038000    
 H   0.7397000      0.5899000       2.189400    
 H    2.362300     -4.8500001E-02   2.341500    
 H   -3.255600       1.892200      -1.365300    
 H   -2.873400       2.754400      0.1208000    
 H    5.692700       1.411300      -2.001700    
 H    5.667600     -0.3589000      -1.696200    
 H   -2.242800       1.514400       2.204400    
 H   -3.702300      0.5304000       2.196900    
 H   -2.140500     -0.2454000       2.256500    
 H   -5.316800      -1.460600     -0.8094000    
 H   -5.300400       2.729200     -0.4840000    
 H   -4.970300       2.137800       1.152500    


%chk=000068873-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000068873

0 1
O 4.331168 0.669473 0.619737
O 6.505250 1.450792 0.383087
O -6.740895 0.807822 -1.041446
C 0.987598 -0.791651 -0.296001
C 1.894818 -2.027031 -0.245259
C 3.343170 -1.484319 -0.234043
C 1.830136 0.413774 0.273789
C -0.459752 -0.825088 0.249472
C 3.268984 0.051081 -0.265993
C 2.800825 -2.290576 0.959911
C -1.232950 -2.049493 -0.267527
C -1.163717 0.507667 -0.176641
C -2.749410 -1.908649 -0.519223
C 1.148004 1.691064 -0.283473
C -2.205073 -2.782578 0.650107
C -2.665733 0.580455 0.315777
C -0.325113 1.761172 0.208643
C 3.657717 0.580286 -1.680631
C -3.435535 -0.602928 -0.316019
C 1.876904 0.550739 1.835393
C -3.308759 1.912257 -0.188742
C 5.195565 0.696465 -1.616539
C -2.774543 0.527069 1.872975
C 5.475556 0.995070 -0.139017
C -4.730739 -0.469658 -0.766267
C -4.840625 1.966728 -0.021154
C -5.531474 0.758396 -0.651968
H 0.880719 -0.581722 -1.386893
H 1.636062 -2.877886 -0.883675
H 4.126196 -1.951859 -0.839870
H -0.420992 -0.879550 1.353991
H 2.608053 -1.812595 1.918792
H 3.196316 -3.307534 1.048709
H -0.698793 -2.670629 -0.995596
H -1.213151 0.482783 -1.290125
H -3.169517 -2.497943 -1.342209
H 1.143193 1.684201 -1.392031
H 1.689752 2.601080 0.040956
H -2.330519 -2.417041 1.672610
H -2.329881 -3.863729 0.539750
H -0.338883 1.903972 1.305954
H -0.787954 2.663398 -0.230632
H 3.222372 1.579499 -1.848696
H 3.302107 -0.093176 -2.477459
H 1.880441 1.620234 2.111904
H 1.008488 0.084376 2.329292
H 2.795301 0.129342 2.266215
H -3.062295 2.035904 -1.263101
H -2.856992 2.765909 0.349154
H 5.619689 1.491173 -2.249688
H 5.704969 -0.248170 -1.883930
H -2.324716 1.430022 2.324306
H -3.830860 0.480670 2.189437
H -2.265279 -0.350378 2.303345
H -5.241753 -1.321926 -1.233654
H -5.262947 2.882730 -0.471874
H -5.118902 1.994406 1.051871


