%chk=000097036.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000097036

0 1
 O   -1.818000     -0.1598000     -0.2445000    
 O    1.793100      0.1748000     -0.2587000    
 O   0.7086000      -2.424400      0.8597000    
 O  -0.5872000       2.511700      0.8568000    
 O  -0.8209000      -1.316500       2.115800    
 O   0.9276000       1.350100       2.083800    
 O   -2.555700      -2.340100     -0.2093000    
 O    2.551200       2.348400     -0.2574000    
 C  -0.4713000     -0.5948000     -0.1698000    
 C   0.4466000      0.6285000     -0.1913000    
 C  -0.2356000      -1.471100       1.050500    
 C   0.3162000       1.514100       1.036100    
 C   -4.130200     -0.5544000     -0.3384000    
 C    4.104800      0.5426000     -0.3575000    
 C   -2.767600      -1.138400     -0.2568000    
 C    2.749100       1.143600     -0.2857000    
 C   -6.663100      0.5305000     -0.4865000    
 C    6.624900     -0.5740000     -0.4873000    
 C   -5.127300      -1.271700     -0.9671000    
 C    5.110400       1.238200     -0.9970000    
 C   -4.357800      0.6875000      0.2188000    
 C    4.317600     -0.6929000      0.2193000    
 C   -6.407700     -0.7233000      -1.042000    
 C    6.384200      0.6736000      -1.062700    
 C   -5.638100       1.235800      0.1439000    
 C    5.591500      -1.257200      0.1537000    
 C   -8.032100       1.116700     -0.5678000    
 C    7.986900      -1.177500     -0.5587000    
 H  -0.2632000      -1.206200      -1.058700    
 H   0.2350000       1.232900      -1.083100    
 H   -4.940000      -2.247300      -1.405600    
 H    4.934600       2.208900      -1.451000    
 H   -3.580500       1.250100      0.7271000    
 H    3.534300      -1.238200      0.7369000    
 H   -7.198300      -1.283000      -1.534800    
 H    7.181500       1.216200      -1.563900    
 H   -5.826000       2.211400      0.5846000    
 H    5.767900      -2.227800      0.6100000    
 H   -8.623900      0.8107000      0.3006000    
 H   -8.548100      0.7903000      -1.477200    
 H   -7.992600       2.210900     -0.5975000    
 H    8.581500     -0.8658000      0.3056000    
 H    8.507400     -0.8707000      -1.472300    
 H    7.934500      -2.271500     -0.5723000    
 H   0.8522000      -2.964700       1.665800    
 H  -0.6768000       3.072100       1.656900    


%chk=000097036-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000097036

0 1
O -1.814907 -0.126147 -0.090840
O 1.810044 0.120818 -0.097316
O 0.693110 -2.422674 1.190227
O -0.696384 2.435061 1.156272
O -0.989733 -1.327786 2.367119
O 0.995249 1.363570 2.342014
O -2.513223 -2.323778 -0.422981
O 2.506891 2.311122 -0.477896
C -0.446524 -0.635762 0.046756
C 0.442224 0.633015 0.035811
C -0.311886 -1.471573 1.333086
C 0.311689 1.488801 1.309360
C -4.156987 -0.507466 -0.414333
C 4.150879 0.495385 -0.436866
C -2.807999 -1.109263 -0.317100
C 2.802204 1.099151 -0.347517
C -6.789966 0.563908 -0.614776
C 6.783086 -0.580293 -0.623574
C -5.257961 -1.361643 -0.684543
C 5.250697 1.343250 -0.730605
C -4.374338 0.885392 -0.244088
C 4.368988 -0.893286 -0.236111
C -6.555842 -0.827726 -0.784405
C 6.548209 0.807168 -0.823624
C -5.678164 1.407367 -0.346833
C 5.672450 -1.417454 -0.332092
C -8.195012 1.130529 -0.691257
C 8.187787 -1.148637 -0.693244
H -0.172064 -1.271250 -0.813046
H 0.165704 1.255246 -0.833008
H -5.074737 -2.433643 -0.813253
H 5.066887 2.412086 -0.882670
H -3.522302 1.538056 -0.032779
H 3.517785 -1.540955 -0.006845
H -7.400894 -1.493215 -0.996271
H 7.392371 1.467669 -1.053836
H -5.840566 2.483946 -0.217727
H 5.835505 -2.490813 -0.179218
H -8.676847 1.118962 0.306001
H -8.834977 0.540440 -1.370195
H -8.192379 2.177400 -1.041289
H 8.674035 -1.114581 0.301363
H 8.824795 -0.574175 -1.388171
H 8.183580 -2.203167 -1.019480
H 0.785569 -2.931758 2.041152
H -0.786446 2.957004 1.999628


