%chk=000064676.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000064676

0 1
 O    6.064400      0.2349000      0.1713000    
 O    9.640700     -2.8400000E-02  0.1169000    
 O    7.461600      -1.510700     -0.3943000    
 C   -2.711600     -0.4811000     -7.8999996E-03
 C   -4.005500      0.2919000      0.2703000    
 C   -1.444200      0.3318000      0.2680000    
 C   -5.307800     -0.4649000     -1.4200000E-02
 C  -0.1847000     -0.4944000     -2.7999999E-03
 C   -6.563700      0.3761000      0.2261000    
 C    1.115500      0.2781000      0.2460000    
 C   -7.861400     -0.3560000     -0.1332000    
 C    2.374300     -0.5715000      4.6500001E-02
 C   -9.147200      0.4673000     -1.0000000E-03
 C    3.671600      0.2188000      0.2273000    
 C   -10.41510     -0.3259000     -0.3204000    
 C    4.929600     -0.5929000     -5.1100001E-02
 C   -11.65980      0.5371000     -0.1817000    
 C    7.283300     -0.3531000     -3.8199998E-02
 C    8.393600      0.6325000      0.2654000    
 C    8.366500       1.810400     -0.6928000    
 H   -2.703200      -1.389300      0.6073000    
 H   -2.711000     -0.8084000      -1.055000    
 H   -4.007000      0.6102000       1.320500    
 H   -3.996700       1.210300     -0.3307000    
 H   -1.438600       1.228600     -0.3629000    
 H   -1.444200      0.6696000       1.311200    
 H   -5.346500      -1.363800      0.6128000    
 H   -5.297200     -0.8062000      -1.056600    
 H  -0.1969000      -1.387100      0.6350000    
 H  -0.1967000     -0.8474000      -1.041400    
 H   -6.499800       1.294600     -0.3701000    
 H   -6.601600      0.6833000       1.278200    
 H    1.150400       1.142700     -0.4283000    
 H    1.111100      0.6741000       1.269000    
 H   -7.787600     -0.7185000      -1.166500    
 H   -7.945300      -1.247400      0.5014000    
 H    2.360900      -1.412100      0.7508000    
 H    2.356700      -1.002600     -0.9621000    
 H   -9.082600       1.336000     -0.6677000    
 H   -9.213900      0.8584000       1.021800    
 H    3.665000       1.096900     -0.4313000    
 H    3.719500      0.6195000       1.247900    
 H   -10.35920     -0.7181000      -1.342400    
 H   -10.49420      -1.186200      0.3540000    
 H    4.927700     -0.9417000      -1.090300    
 H    4.971300      -1.459000      0.6196000    
 H   -11.76010      0.9199000      0.8390000    
 H   -11.62450       1.389800     -0.8671000    
 H   -12.55460     -4.8700001E-02 -0.4141000    
 H    8.300000      0.9536000       1.308100    
 H    8.455900       1.471700      -1.731400    
 H    7.438700       2.383600     -0.6018000    
 H    9.210100       2.482700     -0.5035000    
 H    10.33140      0.5709000      0.4479000    


%chk=000064676-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000064676

0 1
O 6.138491 0.389522 0.243108
O 9.759905 0.054433 0.652824
O 7.561492 -1.446740 0.022263
C -2.747792 -0.419728 -0.094294
C -4.039729 0.391577 0.151018
C -1.456273 0.381552 0.184441
C -5.328970 -0.410958 -0.134799
C -0.167567 -0.436261 -0.056202
C -6.623208 0.396446 0.111579
C 1.125871 0.365924 0.209332
C -7.910792 -0.408168 -0.176628
C 2.409991 -0.462771 -0.018488
C -9.206737 0.396948 0.068456
C 3.701038 0.354268 0.224513
C -10.493181 -0.411098 -0.217464
C 4.949960 -0.501457 0.025102
C -11.783703 0.400781 0.026186
C 7.376661 -0.216508 0.208525
C 8.522072 0.784714 0.397320
C 8.663170 1.701590 -0.839761
H -2.759806 -1.328177 0.544051
H -2.735705 -0.779387 -1.144692
H -4.055123 0.747373 1.202662
H -4.027128 1.302206 -0.484189
H -1.441771 1.287188 -0.457733
H -1.469578 0.745097 1.233374
H -5.340389 -1.322668 0.498944
H -5.313673 -0.765430 -1.186955
H -0.180146 -1.337206 0.592575
H -0.160088 -0.807574 -1.102490
H -6.612285 1.308673 -0.521385
H -6.640006 0.749841 1.164036
H 1.144177 1.260235 -0.447936
H 1.115210 0.746102 1.251997
H -7.893449 -0.762062 -1.228993
H -7.921487 -1.320290 0.456621
H 2.396010 -1.346943 0.652506
H 2.410119 -0.858145 -1.055596
H -9.199427 1.307947 -0.566433
H -9.225306 0.752646 1.120170
H 3.735256 1.217742 -0.467359
H 3.700402 0.764021 1.252732
H -10.472414 -0.768741 -1.267381
H -10.500876 -1.319559 0.419263
H 5.017679 -0.916578 -0.997556
H 5.009477 -1.338162 0.745032
H -11.840928 0.748161 1.075235
H -11.818207 1.295327 -0.624274
H -12.687700 -0.201582 -0.179990
H 8.308015 1.400086 1.290214
H 8.821842 1.103643 -1.754663
H 7.765101 2.330712 -0.968835
H 9.542333 2.351099 -0.695320
H 9.616572 -0.889760 0.366837


