%chk=000160570.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000160570

0 1
 O   0.5871000      -2.461500      0.4484000    
 O    1.332600       2.264900      0.3547000    
 O   -2.687500      -2.486200     -0.2943000    
 O   -2.440000      -2.650200       1.959300    
 C    2.922500      0.2432000      -1.203300    
 C    2.461000     -0.3494000      0.1582000    
 C    4.453500      0.2828000      -1.281100    
 C    5.044600       1.126300     -0.1497000    
 C    3.292000      0.1412000       1.325900    
 C   0.9750000     -0.1058000      0.3979000    
 C    4.442200      0.8247000       1.197000    
 C    2.377400     -0.5362000      -2.365300    
 C   0.1076000      -1.186300      0.5310000    
 C   0.4947000       1.197900      0.4838000    
 C    5.203000       1.327300       2.388400    
 C   -1.737000      0.3434000      0.8385000    
 C   -1.251200     -0.9613000      0.7517000    
 C    1.503300      0.2228000      -3.319200    
 C  -0.8640000       1.423000      0.7046000    
 C   -3.187300      0.6154000       1.073200    
 C    2.656700      -1.836300      -2.540600    
 C   -4.024400      0.7390000     -0.2116000    
 C   -5.490900       1.084900      6.4599998E-02
 C   -2.160500      -2.093300      0.8958000    
 C   -6.281500       1.224100      -1.237000    
 C   -7.729100       1.605500     -0.9711000    
 H    2.596100       1.281300      -1.323800    
 H    2.672700      -1.423000      0.1363000    
 H    4.875000     -0.7292000      -1.214100    
 H    4.783000      0.6946000      -2.243600    
 H    6.127100      0.9531000     -0.1212000    
 H    4.894800       2.190900     -0.3686000    
 H    2.916900     -8.0700003E-02   2.323200    
 H    5.311900       2.415400       2.335900    
 H    4.700100       1.088200       3.331300    
 H    6.201000      0.8784000       2.419400    
 H   0.6250000      0.6202000      -2.800500    
 H    2.056700       1.058800      -3.759500    
 H    1.145900     -0.4077000      -4.140200    
 H   -1.234900       2.443300      0.7680000    
 H   -3.283300       1.548700       1.645700    
 H   -3.626500     -0.1466000       1.728600    
 H    3.290400      -2.391900      -1.858500    
 H    2.253500      -2.384800      -3.385800    
 H   -3.586700       1.514600     -0.8533000    
 H   -3.974000     -0.1964000     -0.7805000    
 H   -5.940600      0.3038000      0.6893000    
 H   -5.544100       2.023200      0.6300000    
 H    1.364800      -2.534500       1.026900    
 H    2.233900       2.054500      0.6285000    
 H   -5.821000       1.988900      -1.873100    
 H   -6.252900      0.2795000      -1.792400    
 H   -8.229000      0.8460000     -0.3615000    
 H   -8.276000       1.698000      -1.914600    
 H   -7.792300       2.564000     -0.4462000    
 H   -3.300100      -3.245200     -0.1897000    


%chk=000160570-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000160570

0 1
O 0.514424 -2.411487 0.013043
O 1.332587 2.335517 1.043193
O -2.136117 -2.612159 -0.959283
O -3.132063 -2.463828 1.122095
C 2.988576 0.084463 -1.142542
C 2.532842 -0.292024 0.313747
C 4.537908 0.091220 -1.224847
C 5.143502 1.146555 -0.276015
C 3.376156 0.427570 1.368881
C 1.029402 -0.059392 0.512664
C 4.557105 1.071476 1.128042
C 2.346157 -0.844519 -2.183713
C 0.088386 -1.110877 0.330803
C 0.509554 1.211975 0.888142
C 5.350377 1.739716 2.231904
C -1.789055 0.348025 0.983973
C -1.303197 -0.925648 0.552049
C 1.299266 -0.221596 -3.084196
C -0.868429 1.404538 1.127834
C -3.270443 0.616651 1.206159
C 2.688485 -2.163136 -2.278258
C -4.044289 0.850085 -0.122885
C -5.547063 1.118240 0.110420
C -2.253671 -2.051757 0.324176
C -6.327579 1.377611 -1.198542
C -7.829617 1.644970 -0.959746
H 2.635230 1.118159 -1.339785
H 2.714577 -1.378846 0.452826
H 4.923705 -0.910512 -0.952263
H 4.855635 0.285071 -2.266576
H 6.242674 1.016079 -0.216232
H 4.987058 2.167428 -0.685923
H 3.012219 0.341329 2.403416
H 5.565375 2.797786 1.983526
H 4.818640 1.714500 3.198375
H 6.331592 1.242906 2.366079
H 0.478674 0.211539 -2.480727
H 1.738631 0.611423 -3.667705
H 0.865885 -0.950942 -3.788984
H -1.207162 2.399381 1.432123
H -3.381919 1.516200 1.840651
H -3.734851 -0.228537 1.744272
H 3.471424 -2.612555 -1.654613
H 2.235047 -2.813802 -3.034628
H -3.590051 1.704630 -0.664584
H -3.926419 -0.035170 -0.779589
H -5.994714 0.252112 0.640319
H -5.665589 1.992067 0.785516
H 1.219452 -2.393871 -0.697071
H 2.294010 2.047298 1.084056
H -5.875684 2.242010 -1.726860
H -6.208261 0.504648 -1.872317
H -8.309789 0.783718 -0.457951
H -8.366274 1.825470 -1.909515
H -7.975977 2.531963 -0.314490
H -2.759142 -3.388371 -1.012646


