%chk=000168811.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000168811

0 1
 O   -2.526500       2.678400      -1.076300    
 C   9.4599999E-02  0.2132000     -0.3723000    
 C   -1.171700      0.7763000     -0.5306000    
 C    1.221900      0.9894000     -0.6022000    
 C   0.2324000      -1.217500      4.2399999E-02
 C   -2.398700     -4.3600000E-02 -0.2872000    
 C    2.601900      0.4058000     -0.4380000    
 C   0.2800000      -2.165800      -1.163000    
 C   -2.866700      3.6499999E-02   1.172000    
 C    3.125200      0.5830000      0.9890000    
 C   -1.298200       2.110500     -0.9173000    
 C    1.107800       2.318400     -0.9874000    
 C   0.3818000      -3.627200     -0.7267000    
 C  -0.1585000       2.881600      -1.145700    
 C   -4.097700     -0.8356000       1.418100    
 C    4.538800      2.0000000E-02   1.134400    
 C   0.3877000      -4.566800      -1.922100    
 C   -4.534400     -0.7859000       2.873500    
 C    5.080500      0.2293000       2.539400    
 H    1.121700      -1.372600      0.6618000    
 H  -0.5742000      -1.520800      0.7174000    
 H   -3.210500      0.3043000     -0.9403000    
 H   -2.265600      -1.086900     -0.5887000    
 H    2.648800     -0.6433000     -0.7440000    
 H    3.282800      0.9163000      -1.133700    
 H    1.131800      -1.921200      -1.808800    
 H  -0.6146000      -2.037100      -1.784100    
 H   -3.103800       1.077700       1.426200    
 H   -2.062300     -0.2697000       1.851300    
 H    3.132900       1.649700       1.248300    
 H    2.460400      9.5399998E-02   1.711500    
 H    1.987800       2.930100      -1.165800    
 H    1.297700      -3.778000     -0.1438000    
 H  -0.4634000      -3.881200     -7.6499999E-02
 H  -0.2421000       3.922500      -1.446500    
 H   -3.877500      -1.874600       1.146400    
 H   -4.924100     -0.5010000      0.7805000    
 H    5.209700      0.5055000      0.4161000    
 H    4.537100      -1.051900      0.9046000    
 H    1.238200      -4.359600      -2.579500    
 H  -0.5320000      -4.464100      -2.506700    
 H   0.4627000      -5.605900      -1.586900    
 H   -4.789900      0.2360000       3.171500    
 H   -3.740400      -1.148500       3.534100    
 H   -5.416900      -1.415100       3.026000    
 H    4.449500     -0.2703000       3.281400    
 H    5.126200       1.294300       2.787900    
 H    6.091400     -0.1823000       2.621100    
 H   -2.415200       3.606400      -1.345200    


%chk=000168811-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000168811

0 1
O -2.646955 2.567780 -0.961120
C 0.117381 0.150425 -0.352727
C -1.194920 0.696939 -0.485393
C 1.267304 0.963700 -0.610167
C 0.288332 -1.320294 0.017709
C -2.462857 -0.102329 -0.219508
C 2.692772 0.444683 -0.450513
C 0.308822 -2.255644 -1.224822
C -2.986967 0.064820 1.235193
C 3.243719 0.601952 0.995440
C -1.327863 2.061640 -0.856759
C 1.082841 2.313985 -0.991122
C 0.489117 -3.744563 -0.852592
C -0.204254 2.874194 -1.113745
C -4.293260 -0.720737 1.487321
C 4.688146 0.075432 1.147037
C 0.510680 -4.671795 -2.087036
C -4.833085 -0.541543 2.922719
C 5.243497 0.248928 2.577321
H 1.227847 -1.468614 0.581210
H -0.525165 -1.645977 0.692317
H -3.255867 0.243780 -0.907762
H -2.303075 -1.176637 -0.424703
H 2.768570 -0.619429 -0.745318
H 3.361478 1.001431 -1.136664
H 1.125739 -1.940817 -1.905538
H -0.632429 -2.126047 -1.796163
H -3.158736 1.141633 1.427594
H -2.208151 -0.266787 1.952740
H 3.204226 1.672646 1.281027
H 2.578345 0.070196 1.705919
H 1.962082 2.937033 -1.194753
H 1.431221 -3.866121 -0.279132
H -0.330346 -4.052096 -0.170864
H -0.329002 3.924056 -1.410815
H -4.119346 -1.798343 1.287126
H -5.059873 -0.388510 0.757905
H 5.346046 0.603550 0.426410
H 4.717258 -0.997125 0.864097
H 1.339665 -4.403954 -2.768970
H -0.432512 -4.590048 -2.659274
H 0.639886 -5.730862 -1.797122
H -5.041012 0.524147 3.134934
H -4.097676 -0.893857 3.670683
H -5.770641 -1.106887 3.078165
H 4.619820 -0.292790 3.313323
H 5.255229 1.315619 2.870657
H 6.276554 -0.136053 2.661327
H -2.626185 3.513387 -1.249994


