%chk=000158362.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000158362

0 1
 O   0.4387000      0.1659000      0.5349000    
 O   -4.634700       2.273100      -1.721700    
 O    3.497700      -2.434100      -1.883000    
 O    1.562200       2.093400       2.176600    
 O    5.342200       2.581400     -0.5776000    
 C   -1.644900     -0.6473000     -0.5083000    
 C   -2.485800      0.1152000      0.5959000    
 C  -0.2445000      -1.086500      0.1306000    
 C   -3.810100      0.8175000      0.1011000    
 C  -0.4014000      -1.895700       1.470300    
 C   -1.411000      0.3542000      -1.684300    
 C   -2.655200     -0.7420000       1.869100    
 C   -1.306900      -1.146800       2.461700    
 C   -3.463600       1.728000      -1.114600    
 C   -2.683300       1.012900      -2.210700    
 C   0.7157000      -1.797800     -0.8776000    
 C   -2.371900      -1.892600      -1.077400    
 C   -4.949800     -0.1634000     -0.2410000    
 C   -4.362700       1.734800       1.228900    
 C  -0.8500000      -3.359100       1.364700    
 C    1.984600      -1.078900     -0.6260000    
 C    1.745900      3.0500000E-02  0.1597000    
 C    3.255900      -1.353800      -1.098000    
 C    2.752200      0.9107000      0.5083000    
 C    4.041800      0.6431000      4.6799999E-02
 C    4.292800     -0.4840000     -0.7515000    
 C    2.463900       2.073800       1.335500    
 C    5.182100       1.547500      0.3875000    
 H   -1.851400      0.9593000      0.9118000    
 H   0.5895000      -1.930500       1.946900    
 H  -0.9214000     -0.1447000      -2.527500    
 H  -0.7335000       1.156500      -1.368000    
 H   -3.260600      -1.631700       1.675100    
 H   -3.184600     -0.1791000       2.643900    
 H  -0.7903000     -0.2427000       2.809500    
 H   -1.473600      -1.756200       3.358600    
 H   -2.864100       2.577200     -0.7603000    
 H   -2.408200       1.739500      -2.987000    
 H   -3.323900      0.2919000      -2.729500    
 H   0.4273000      -1.652700      -1.921300    
 H   0.8188000      -2.868800     -0.7032000    
 H   -2.995400      -1.661000      -1.943600    
 H   -1.669400      -2.653200      -1.431500    
 H   -3.027300      -2.370500     -0.3481000    
 H   -5.892600      0.3719000     -0.4069000    
 H   -4.761100     -0.7336000      -1.150700    
 H   -5.131300     -0.8724000      0.5727000    
 H   -3.584600       2.402900       1.614400    
 H   -5.181900       2.364500      0.8623000    
 H   -4.763300       1.158100       2.068600    
 H   -1.885200      -3.469900       1.042700    
 H  -0.2182000      -3.946600      0.6960000    
 H  -0.7808000      -3.836700       2.349800    
 H   -4.348400       2.883100      -2.422800    
 H    5.298900     -0.6839000      -1.114000    
 H    3.104200       2.960700       1.204400    
 H    2.667500      -2.914300      -2.039400    
 H    5.090400       1.994600       1.382100    
 H    6.118200      0.9768000      0.4130000    
 H    5.043900       2.251300      -1.441800    


%chk=000158362-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000158362

0 1
O 0.405031 0.024504 0.659963
O -4.451203 2.427837 -1.649347
O 3.581735 -2.391227 -1.984174
O 1.302992 2.402077 1.905009
O 4.918219 3.075118 -0.305353
C -1.658429 -0.755980 -0.488012
C -2.460315 0.068428 0.601854
C -0.326431 -1.258624 0.198317
C -3.726152 0.860323 0.088712
C -0.509310 -2.049915 1.536342
C -1.302615 0.209993 -1.663608
C -2.727621 -0.784977 1.867107
C -1.398207 -1.236424 2.515503
C -3.258615 1.736689 -1.112488
C -2.543590 0.942759 -2.219214
C 0.699411 -1.959157 -0.767152
C -2.424247 -1.988380 -1.061163
C -4.937280 -0.027701 -0.303415
C -4.199686 1.838145 1.205667
C -1.020429 -3.508203 1.408252
C 1.961125 -1.132442 -0.616358
C 1.709475 -0.010465 0.204507
C 3.243176 -1.312898 -1.155638
C 2.699200 0.966009 0.514173
C 4.007081 0.747303 -0.054277
C 4.267207 -0.371414 -0.867572
C 2.420416 2.136795 1.372212
C 5.159453 1.710533 0.207549
H -1.747784 0.860614 0.919917
H 0.512965 -2.105932 1.967649
H -0.814733 -0.344433 -2.490044
H -0.578794 0.963649 -1.300256
H -3.363065 -1.662686 1.633634
H -3.290337 -0.186623 2.605574
H -0.841208 -0.339648 2.843455
H -1.597716 -1.850608 3.415427
H -2.543919 2.494099 -0.712885
H -2.220416 1.638048 -3.021554
H -3.260171 0.240926 -2.685776
H 0.333565 -1.963159 -1.811353
H 0.851680 -3.012068 -0.465248
H -3.022271 -1.701524 -1.941435
H -1.729773 -2.782306 -1.391917
H -3.115598 -2.436894 -0.330487
H -5.799088 0.617169 -0.543993
H -4.746145 -0.662713 -1.183221
H -5.221672 -0.685873 0.538091
H -3.345300 2.380027 1.654273
H -4.893596 2.578936 0.772321
H -4.732069 1.307457 2.014825
H -2.102821 -3.557045 1.208874
H -0.507496 -4.085871 0.617262
H -0.837463 -4.032050 2.364149
H -4.162159 3.042414 -2.369774
H 5.261205 -0.536694 -1.294694
H 3.286325 2.817762 1.529960
H 2.806556 -2.992277 -2.118947
H 5.325367 1.866514 1.286769
H 6.090598 1.294164 -0.225841
H 4.682443 3.017715 -1.266050


