%chk=000085543.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000085543

0 1
 O   -2.710800     -0.1982000      0.5850000    
 O   -4.705200     -4.4100001E-02 -0.5707000    
 C    2.138900       1.472600       1.053200    
 C    3.488900      0.7872000       1.302200    
 C    2.048200       2.168300     -0.3072000    
 C    3.836100     -0.3669000      0.3549000    
 C   0.7327000       2.924300     -0.5133000    
 C  -0.2689000      -2.657000     -0.8710000    
 C    1.159200      -3.080800     -0.5116000    
 C  -0.8422000      -1.608700      8.3499998E-02
 C    2.869100      -1.511600      0.4412000    
 C    2.141200      -1.948800     -0.5972000    
 C   0.6464000       3.645400      -1.849300    
 C   -2.243700      -1.181000     -0.3289000    
 C   -3.966300      0.2891000      0.3459000    
 C   -4.323700       1.310200       1.383100    
 H    1.989600       2.221500       1.841300    
 H    1.322800      0.7504000       1.159100    
 H    3.499100      0.4155000       2.335200    
 H    4.285500       1.539300       1.240200    
 H    2.152600       1.429100      -1.109500    
 H    2.884800       2.870400     -0.4100000    
 H    3.920500      3.8999999E-03 -0.6729000    
 H    4.830000     -0.7471000      0.6220000    
 H  -0.1049000       2.220600     -0.4352000    
 H   0.6063000       3.658400      0.2914000    
 H  -0.2862000      -2.268000      -1.897100    
 H  -0.9113000      -3.546200     -0.8602000    
 H    1.163500      -3.528300      0.4899000    
 H    1.480300      -3.865900      -1.206600    
 H  -0.2055000     -0.7179000      0.1108000    
 H  -0.8620000      -1.998000       1.108900    
 H    2.765500      -1.995000       1.409300    
 H    2.249400      -1.467300      -1.566000    
 H   0.7311000       2.937800      -2.680000    
 H    1.446900       4.385700      -1.945400    
 H  -0.3123000       4.165400      -1.940000    
 H   -2.919000      -2.044600     -0.3139000    
 H   -2.224600     -0.7577000      -1.340100    
 H   -3.615200       2.141400       1.343700    
 H   -5.326500       1.697200       1.181000    
 H   -4.321300      0.8484000       2.373500    


%chk=000085543-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000085543

0 1
O -2.567617 0.026768 0.256990
O -4.484066 0.200877 -1.059494
C 2.352647 1.403277 1.222467
C 3.788091 0.833584 1.111220
C 1.812124 2.055799 -0.070370
C 3.957400 -0.313377 0.072238
C 0.410334 2.681713 0.119929
C -0.223833 -2.812459 -0.785325
C 1.228843 -3.173311 -0.362141
C -0.794008 -1.611811 0.004494
C 3.019162 -1.477194 0.319986
C 2.201858 -2.037730 -0.609544
C -0.147768 3.321149 -1.170025
C -2.183439 -1.211374 -0.488437
C -3.756524 0.647208 -0.143343
C -4.002775 1.894532 0.678634
H 2.331394 2.155308 2.038437
H 1.661358 0.591453 1.529436
H 4.099255 0.455416 2.107092
H 4.491859 1.651226 0.852717
H 1.761266 1.298830 -0.879541
H 2.521114 2.837809 -0.416303
H 3.805597 0.072619 -0.954100
H 5.010010 -0.664270 0.122341
H -0.290615 1.900184 0.478618
H 0.462889 3.447159 0.921600
H -0.232321 -2.577601 -1.870266
H -0.873783 -3.700341 -0.649899
H 1.247645 -3.454965 0.709257
H 1.542453 -4.070569 -0.935470
H -0.112862 -0.746989 -0.099788
H -0.837500 -1.855982 1.083620
H 3.004349 -1.875239 1.348656
H 2.215566 -1.634595 -1.636581
H -0.247430 2.568488 -1.975089
H 0.521439 4.120817 -1.540583
H -1.145975 3.768879 -1.004320
H -2.947362 -1.987225 -0.293466
H -2.193444 -0.986210 -1.571388
H -3.146661 2.585356 0.584855
H -4.922619 2.388890 0.335149
H -4.097049 1.632901 1.746940


