%chk=000122851.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000122851

0 1
 O    4.268700      0.9136000     -9.8999999E-02
 O    6.861300       1.677900      0.2610000    
 O   0.8334000      -2.477400     -0.4070000    
 O  -0.2940000       2.192700     -3.9999999E-04
 O   -2.472400       2.869300      2.4599999E-02
 O   -3.580400     -6.6999998E-03   2.245800    
 O   -7.561400     -0.7945000     -0.2449000    
 C    5.280200     -0.1002000      5.1800001E-02
 C    4.950600      -1.359600     -0.7656000    
 C    3.598100      -1.937500     -0.3738000    
 C    2.575600     -0.8435000     -0.2784000    
 C    2.964600      0.4959000     -0.1406000    
 C    6.577300      0.5169000     -0.4917000    
 C    5.470100     -0.3958000       1.547300    
 C    1.208800      -1.167700     -0.2961000    
 C   0.2403000     -0.1649000     -0.2046000    
 C    2.000500       1.502000     -5.7900000E-02
 C   0.6522000       1.155100     -9.0300001E-02
 C   -1.183700     -0.4571000     -0.2228000    
 C   -2.092600      0.5266000     -0.1433000    
 C   -1.664300       1.947800     -3.1099999E-02
 C   -3.525700      0.1788000     -0.1499000    
 C   0.6635000      -3.203000      0.8066000    
 C   -4.212200     -7.3500000E-02   1.039100    
 C   -4.198300      0.1037000      -1.370500    
 C   -5.567800     -0.4005000       1.007200    
 C   -5.553800     -0.2232000      -1.402300    
 C   -6.238600     -0.4754000     -0.2135000    
 H    5.730100      -2.122400     -0.6520000    
 H    4.912300      -1.094800      -1.831600    
 H    3.675100      -2.451000      0.5906000    
 H    3.306900      -2.679300      -1.126600    
 H    6.472000      0.8154000      -1.540400    
 H    7.423500     -0.1722000     -0.4066000    
 H    6.289600      -1.102800       1.713900    
 H    5.675300      0.5172000       2.117500    
 H    4.564100     -0.8160000       1.996300    
 H    2.296600       2.543200      3.6699999E-02
 H   -1.499000      -1.492700     -0.3067000    
 H    6.108900       2.286000      0.1615000    
 H  -0.1168000      -2.751100       1.427000    
 H    1.599400      -3.252400       1.370400    
 H   0.3575000      -4.222100      0.5544000    
 H   -3.680000      0.2981000      -2.306500    
 H   -6.103400     -0.5972000       1.932900    
 H   -6.071100     -0.2798000      -2.356100    
 H   -4.217200     -0.2128000       2.951500    
 H   -7.873700     -0.9360000      0.6653000    


%chk=000122851-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000122851

0 1
O 4.288540 0.920614 0.084429
O 6.846447 1.908768 0.366098
O 0.876566 -2.560028 -0.611019
O -0.331011 2.068330 0.376933
O -2.509559 2.794978 0.373374
O -3.930318 0.956781 2.187133
O -7.750757 -0.732082 -0.430725
C 5.404454 -0.101863 0.048579
C 5.025024 -1.216927 -0.946781
C 3.716319 -1.920490 -0.528545
C 2.630547 -0.899866 -0.230874
C 2.965861 0.464709 0.040298
C 6.595608 0.735960 -0.467834
C 5.634936 -0.598748 1.486502
C 1.262072 -1.234400 -0.283447
C 0.230138 -0.269279 -0.090921
C 1.977992 1.449892 0.251343
C 0.628622 1.074392 0.177842
C -1.177112 -0.571293 -0.142384
C -2.149205 0.394197 0.062683
C -1.765045 1.803373 0.286121
C -3.597912 0.078433 -0.024909
C 0.857139 -3.496926 0.531492
C -4.497065 0.427093 1.020225
C -4.137599 -0.575816 -1.162896
C -5.883907 0.174008 0.912586
C -5.512508 -0.848740 -1.290611
C -6.385069 -0.455000 -0.251287
H 5.851854 -1.948701 -1.004035
H 4.903310 -0.770211 -1.952530
H 3.909385 -2.558060 0.357709
H 3.365554 -2.599923 -1.325815
H 6.399741 1.029656 -1.520621
H 7.522302 0.138781 -0.424615
H 6.375103 -1.420291 1.493851
H 6.026646 0.226281 2.104553
H 4.700902 -0.967511 1.943452
H 2.257436 2.485128 0.457216
H -1.475226 -1.605601 -0.342165
H 5.998261 2.422366 0.409699
H 0.144945 -3.153791 1.306333
H 1.863035 -3.605122 0.980457
H 0.528072 -4.461963 0.117422
H -3.461012 -0.838807 -1.983420
H -6.558552 0.441988 1.737605
H -5.923636 -1.332229 -2.180168
H -4.603632 1.417152 2.745430
H -8.287586 -0.392111 0.327435


