%chk=000091221.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000091221

0 1
 O   -2.568700       1.851800      0.6867000    
 O   0.2339000      -2.817800     -0.1957000    
 C   -3.951600     -0.2988000     -0.7913000    
 C   -4.669600      0.8763000     -0.1162000    
 C   -3.777900       2.123000     -4.1000001E-02
 C   -4.798500      -1.565500     -0.6177000    
 C   -2.543600     -0.4159000     -0.2485000    
 C   -1.952300      0.6522000      0.4439000    
 C   -4.512800       3.210100      0.7577000    
 C   -3.421500       2.692700      -1.422200    
 C   -6.183200      -1.364700      -1.223400    
 C   -4.900200      -1.937100      0.8575000    
 C   -1.774700      -1.570700     -0.4681000    
 C  -0.6533000      0.5400000      0.9529000    
 C   8.3600000E-02 -0.6233000      0.7478000    
 C  -0.4744000      -1.675800      3.0600000E-02
 C    1.469400     -0.7185000       1.293800    
 C    2.520800     -0.2155000      0.2926000    
 C    3.965900     -0.3829000      0.7723000    
 C    5.051900      5.2800000E-02 -0.2162000    
 C    6.469900     -5.6600001E-02  0.3482000    
 C    7.504300      0.4751000     -0.6465000    
 C    8.924700      0.3369000     -9.8800004E-02
 C    9.957800      0.8323000      -1.098500    
 H   -3.859600     -8.7300003E-02  -1.865300    
 H   -4.950400      0.6262000      0.9123000    
 H   -5.590300       1.131900     -0.6533000    
 H   -4.332900      -2.400200      -1.154300    
 H   -3.888900       4.105100      0.8655000    
 H   -5.453600       3.499200      0.2778000    
 H   -4.732700       2.867000       1.775300    
 H   -2.825400       3.607100      -1.319800    
 H   -2.807400       2.001400      -2.008000    
 H   -4.320300       2.930000      -2.000700    
 H   -6.814200     -0.6925000     -0.6334000    
 H   -6.710300      -2.324700      -1.270600    
 H   -6.119300     -0.9781000      -2.246100    
 H   -5.557600      -1.273400       1.426800    
 H   -5.343300      -2.937100      0.9435000    
 H   -3.933300      -1.985700       1.365000    
 H   -2.182800      -2.398800      -1.041200    
 H  -0.2172000       1.373500       1.499600    
 H    1.544400     -0.1383000       2.222900    
 H    1.693400      -1.752600       1.584300    
 H    2.406100     -0.7528000     -0.6578000    
 H    2.338400      0.8437000      7.0400000E-02
 H    4.088000      0.1844000       1.703800    
 H    4.132700      -1.436800       1.029100    
 H    4.972500     -0.5535000      -1.126800    
 H    4.860800       1.092200     -0.5109000    
 H    6.686500      -1.104400      0.5880000    
 H    6.538000      0.5107000       1.284300    
 H    7.420500     -7.6300003E-02  -1.591000    
 H    7.296000       1.528900     -0.8679000    
 H  -0.3137000      -3.436700     -0.7084000    
 H    9.131800     -0.7129000      0.1396000    
 H    9.021400      0.9065000      0.8327000    
 H    10.96600      0.7255000     -0.6860000    
 H    9.798100       1.888800      -1.336300    
 H    9.909300      0.2590000      -2.029700    


%chk=000091221-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000091221

0 1
O -2.689648 1.891063 0.858833
O 0.333708 -2.734176 -0.210960
C -4.036388 -0.249465 -0.755817
C -4.765343 0.942423 -0.085208
C -3.888141 2.211738 0.009149
C -4.854350 -1.584333 -0.643793
C -2.604740 -0.361558 -0.213753
C -2.023082 0.685322 0.551469
C -4.597620 3.329980 0.784761
C -3.389235 2.708624 -1.365654
C -6.225359 -1.466361 -1.352685
C -5.022977 -2.085018 0.810451
C -1.793976 -1.497900 -0.468259
C -0.713674 0.565429 1.074448
C 0.082898 -0.572368 0.838670
C -0.483958 -1.603540 0.040116
C 1.502082 -0.677229 1.366428
C 2.567032 -0.306637 0.296619
C 4.010959 -0.391565 0.837991
C 5.074603 0.023321 -0.203517
C 6.520852 -0.037159 0.338470
C 7.581278 0.408806 -0.693571
C 9.026873 0.360815 -0.147665
C 10.078658 0.819542 -1.181000
H -3.969629 -0.031836 -1.845517
H -5.063671 0.670257 0.944679
H -5.686069 1.187754 -0.645233
H -4.278115 -2.357428 -1.193749
H -3.907691 4.175860 0.948910
H -5.474897 3.695466 0.221191
H -4.935584 2.965147 1.770311
H -2.802861 3.635414 -1.241004
H -2.741670 1.961264 -1.855811
H -4.243782 2.921167 -2.034414
H -6.906178 -0.785253 -0.809771
H -6.721189 -2.453244 -1.405550
H -6.115439 -1.086715 -2.386747
H -5.672106 -1.411491 1.400263
H -5.494416 -3.085531 0.819940
H -4.048800 -2.158606 1.325288
H -2.200063 -2.320890 -1.072412
H -0.319723 1.395030 1.671359
H 1.621299 -0.007639 2.240391
H 1.697380 -1.711052 1.709452
H 2.450998 -0.985384 -0.570339
H 2.367303 0.720718 -0.070424
H 4.106726 0.257233 1.734571
H 4.214013 -1.427842 1.180645
H 4.988689 -0.630837 -1.096235
H 4.858950 1.054894 -0.553167
H 6.745019 -1.072223 0.671823
H 6.599215 0.603513 1.242059
H 7.509718 -0.233780 -1.596208
H 7.352925 1.442126 -1.029933
H -0.165182 -3.408920 -0.733966
H 9.257221 -0.672795 0.182680
H 9.094116 0.998094 0.757923
H 11.102822 0.773878 -0.766553
H 9.890063 1.861610 -1.502084
H 10.050757 0.181384 -2.084592


