%chk=000177809.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000177809

0 1
 O    5.502300      0.6856000      0.3604000    
 O   -4.142800      -1.774100      0.3784000    
 O   -5.461600      0.6246000      0.6195000    
 O    7.084000     -0.2968000      -1.007200    
 O   -5.857800      0.6160000      -1.687600    
 C    3.063800      0.3524000      0.2085000    
 C    2.268700     -0.7668000     -0.4935000    
 C   0.8019000     -0.7887000     -6.4199999E-02
 C   0.1453000      0.5680000     -0.4627000    
 C    4.462400      6.4599998E-02 -0.3702000    
 C    2.458700       1.699200     -0.2057000    
 C    3.130700      -2.006700     -0.2738000    
 C   0.9505000       1.768900      0.1024000    
 C    4.573500      -1.472000     -0.3294000    
 C   1.7000001E-02  -1.930700     -0.7125000    
 C    3.091400      0.2580000       1.755600    
 C   -1.345800      0.5778000     -0.1371000    
 C   -1.394400      -1.981700     -0.1354000    
 C   -2.064100     -0.6334000     -2.8600000E-02
 C   -2.058400       1.785000     -2.6100000E-02
 C   -3.444600     -0.6078000      0.2373000    
 C    6.778300      0.4205000     -6.4300001E-02
 C   -3.431400       1.795900      0.2292000    
 C   -4.124000      0.5999000      0.3658000    
 C    7.769900       1.141800      0.7976000    
 C   -4.796200      -1.986300       1.626000    
 C   -6.263800      0.6296000     -0.5331000    
 C   -7.713600      0.6570000     -0.1492000    
 H    2.280500     -0.5775000      -1.580100    
 H   0.7398000     -0.9224000       1.023600    
 H   0.1964000      0.6519000      -1.559500    
 H    4.509000      0.4098000      -1.412700    
 H    2.598000       1.856300      -1.283300    
 H    2.975700       2.527000      0.2945000    
 H    2.958300      -2.767500      -1.042000    
 H    2.930900      -2.467600      0.6999000    
 H   0.7926000       1.844600       1.184900    
 H   0.5802000       2.707800     -0.3254000    
 H    5.147200      -1.831200      0.5325000    
 H    5.072500      -1.846400      -1.230300    
 H   0.5046000      -2.896500     -0.5397000    
 H  -2.8600000E-02  -1.786100      -1.799800    
 H    3.676400       1.081800       2.181300    
 H    2.095000      0.3167000       2.201300    
 H    3.544400     -0.6732000       2.110000    
 H   -1.352000      -2.418500      0.8708000    
 H   -1.993200      -2.652700     -0.7631000    
 H   -1.562300       2.743700     -0.1433000    
 H   -3.951500       2.746200      0.3167000    
 H    7.674200      0.8043000       1.832600    
 H    7.605900       2.219900      0.7271000    
 H    8.782800      0.9190000      0.4501000    
 H   -4.330700      -1.424300       2.443500    
 H   -4.725700      -3.051600       1.865000    
 H   -5.856100      -1.730600       1.543200    
 H   -7.957500     -0.2342000      0.4341000    
 H   -8.328400      0.6622000      -1.053700    
 H   -7.926400       1.562900      0.4235000    


%chk=000177809-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000177809

0 1
O 5.563789 0.675896 0.449196
O -4.148517 -1.929720 0.266936
O -5.536032 0.544946 0.446396
O 7.069397 0.316027 -1.298985
O -6.043449 1.850559 -1.447926
C 3.103968 0.252625 0.242858
C 2.321410 -0.933300 -0.412577
C 0.830671 -0.934432 -0.035103
C 0.194461 0.408697 -0.514067
C 4.516782 -0.081915 -0.296665
C 2.493117 1.579650 -0.262765
C 3.199065 -2.179555 -0.113007
C 0.967872 1.649176 0.023105
C 4.666501 -1.626091 -0.139265
C 0.042391 -2.108127 -0.651004
C 3.103326 0.207485 1.794402
C -1.316954 0.445747 -0.230191
C -1.402257 -2.140333 -0.113966
C -2.055125 -0.762941 -0.062002
C -2.010925 1.681804 -0.164931
C -3.457783 -0.702047 0.169086
C 6.807434 0.807116 -0.176931
C -3.401165 1.742864 0.046739
C -4.123870 0.547172 0.201348
C 7.750879 1.614238 0.690323
C -4.904780 -2.172468 1.512453
C -6.418788 1.214171 -0.448404
C -7.840846 1.005876 0.022068
H 2.367478 -0.764854 -1.514764
H 0.735173 -1.003638 1.070037
H 0.316092 0.418762 -1.623105
H 4.605384 0.204229 -1.362759
H 2.658876 1.660160 -1.357982
H 2.998365 2.447165 0.204671
H 3.048506 -2.980644 -0.857450
H 2.951890 -2.605196 0.877934
H 0.782762 1.753470 1.110127
H 0.575767 2.570141 -0.447638
H 5.198423 -1.848775 0.803508
H 5.266356 -2.047197 -0.962595
H 0.538258 -3.071159 -0.425163
H 0.036481 -1.999052 -1.755240
H 3.756567 1.005392 2.187500
H 2.092128 0.358757 2.207548
H 3.483910 -0.753174 2.183535
H -1.404966 -2.571559 0.909005
H -2.032436 -2.818512 -0.716382
H -1.465077 2.620835 -0.289292
H -3.923324 2.702817 0.069886
H 7.874030 1.127113 1.673112
H 7.332746 2.619401 0.873198
H 8.727473 1.703304 0.193446
H -4.233097 -2.116696 2.391069
H -5.302776 -3.193886 1.410877
H -5.728190 -1.447109 1.625473
H -8.110685 -0.061348 -0.068645
H -8.526010 1.609049 -0.590535
H -7.938776 1.282677 1.085303


