%chk=000114852.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000114852

0 1
 O   -5.157800       1.359000      0.4257000    
 O   -4.639500      -1.469600     -0.2435000    
 O    6.109200      6.7000002E-02  0.4142000    
 C   -1.764500      0.5125000     -0.3671000    
 C   -2.358800     -0.7738000      0.2475000    
 C  -0.3010000      0.6905000      3.2699998E-02
 C   0.5116000     -0.5093000     -0.5471000    
 C   -1.630600      -1.963900     -0.3667000    
 C   -2.788500       1.591300     -3.3000000E-02
 C  -0.1101000      -1.871300     -0.1309000    
 C   0.3025000       1.995900     -0.4874000    
 C   -3.808600     -0.5749000     -0.1628000    
 C   -4.114500      0.9015000     -0.3942000    
 C   -2.350100     -0.8512000       1.785900    
 C    2.001600     -0.3601000     -0.2532000    
 C    1.718000       2.165400      5.6899998E-02
 C    2.560000      0.9147000     -1.3700000E-02
 C    2.867400      -1.467100     -0.3003000    
 C    3.940700       1.041400      0.2206000    
 C    4.238300      -1.325700     -7.4299999E-02
 C    4.774700     -7.2300002E-02  0.1907000    
 H   -1.783300      0.4196000      -1.467000    
 H  -0.2164000      0.7005000       1.126900    
 H   0.4342000     -0.4616000      -1.644600    
 H   -1.825100      -2.008500      -1.446300    
 H   -2.010300      -2.906800      4.5200001E-02
 H   -2.650000       2.496700     -0.6330000    
 H   -2.753100       1.892100       1.019900    
 H   0.1113000      -2.068300      0.9253000    
 H   0.3537000      -2.687200     -0.6974000    
 H  -0.2977000       2.860300     -0.1829000    
 H   0.3221000       1.990800      -1.584900    
 H   -4.357800       1.054900      -1.450900    
 H   -2.839700      -1.773900       2.121000    
 H   -1.341200     -0.8500000       2.206500    
 H   -2.900300     -2.5100000E-02   2.248700    
 H    1.660600       2.471600       1.109300    
 H    2.210100       2.975800     -0.4946000    
 H    2.495100      -2.463000     -0.5211000    
 H   -5.969800      0.9006000      0.1500000    
 H    4.366300       2.021600      0.4266000    
 H    4.875000      -2.205500     -0.1129000    
 H    6.532000     -0.8070000      0.3543000    


%chk=000114852-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000114852

0 1
O -5.293214 1.388580 0.353275
O -4.766794 -1.476011 -0.121525
O 6.192083 0.086237 0.392938
C -1.774797 0.546125 -0.375845
C -2.379140 -0.774537 0.200420
C -0.300317 0.721359 0.024081
C 0.501212 -0.494694 -0.547310
C -1.628551 -1.981942 -0.399585
C -2.834697 1.631929 -0.046641
C -0.104383 -1.865395 -0.116593
C 0.334584 2.030291 -0.491067
C -3.863632 -0.602845 -0.134999
C -4.146849 0.901837 -0.407266
C -2.365879 -0.841913 1.766031
C 2.004940 -0.360114 -0.252837
C 1.756122 2.192413 0.083257
C 2.593812 0.917324 0.001050
C 2.861287 -1.490319 -0.283468
C 3.987628 1.023689 0.210924
C 4.251923 -1.388026 -0.072803
C 4.815468 -0.115577 0.175910
H -1.782983 0.430564 -1.485995
H -0.216311 0.722096 1.131798
H 0.376933 -0.434183 -1.654973
H -1.797774 -2.008513 -1.495330
H -2.019245 -2.932588 0.009461
H -2.703474 2.558017 -0.629466
H -2.844485 1.898569 1.025555
H 0.102903 -2.035357 0.957933
H 0.402330 -2.683987 -0.661144
H -0.281656 2.903050 -0.202819
H 0.368817 2.006630 -1.599838
H -4.341155 0.996396 -1.501891
H -2.889934 -1.758736 2.089339
H -1.335621 -0.876088 2.155557
H -2.877210 0.019335 2.230714
H 1.678631 2.493174 1.149193
H 2.288039 3.017381 -0.428037
H 2.444170 -2.483173 -0.478967
H -6.011650 0.703971 0.285045
H 4.447800 1.999155 0.403603
H 4.883657 -2.285404 -0.104754
H 6.683110 -0.771119 0.345167


