%chk=000060542.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000060542

0 1
 O    3.521300     -0.1736000     -0.5338000    
 O   -2.344900     -0.7184000       1.694800    
 C    2.391200       2.415700     -0.2158000    
 C    2.093200      -2.597200     -0.1218000    
 C    1.613800       1.160300      7.1999999E-03
 C    1.471300      -1.251100      5.3800002E-02
 C    2.212200     -8.8600002E-02 -0.1599000    
 C   0.2748000       1.246900      0.3883000    
 C   0.1322000      -1.164400      0.4347000    
 C  -0.4290000      8.2300000E-02  0.5914000    
 C    1.508700       3.677100      3.3700000E-02
 C    2.925900       2.495700      -1.678600    
 C    3.647200       2.596800      0.6986000    
 C    1.067300      -3.734800      0.1713000    
 C    3.301400      -2.790900      0.8451000    
 C    2.650900      -2.895800      -1.552200    
 C   -1.862000      0.1726000      0.9998000    
 C   -2.679800       1.369500      0.5362000    
 C   -4.166900       1.029500      0.3871000    
 C   -4.430200     -2.7799999E-02 -0.6861000    
 C   -5.864200     -0.2922000     -0.8699000    
 C   -7.034500     -0.5115000      -1.023900    
 H  -0.2302000       2.187000      0.5580000    
 H  -0.4998000      -2.025800      0.6067000    
 H    2.087200       4.591200     -0.1540000    
 H   0.6503000       3.725300     -0.6473000    
 H    1.163800       3.744600       1.072500    
 H    2.110000       2.354100      -2.397400    
 H    3.370900       3.478200      -1.877500    
 H    3.696300       1.752900      -1.902400    
 H    4.074800       3.600700      0.5900000    
 H    3.377000       2.460200       1.752000    
 H    4.449900       1.892600      0.4676000    
 H   0.2192000      -3.719800     -0.5238000    
 H   0.7013000      -3.707400       1.204700    
 H    1.541700      -4.717400      4.9199998E-02
 H    3.029800      -2.513600       1.870500    
 H    4.184000      -2.212300      0.5623000    
 H    3.618600      -3.840900      0.8640000    
 H    3.027700      -3.922600      -1.627000    
 H    1.861400      -2.771400      -2.302700    
 H    3.472700      -2.230400      -1.831900    
 H   -2.561300       2.167700       1.277200    
 H   -2.307400       1.728100     -0.4297000    
 H    4.043600     -0.1168000      0.2849000    
 H   -4.570000      0.6867000       1.348900    
 H   -4.709700       1.949600      0.1351000    
 H   -4.003400      0.3064000      -1.639400    
 H   -3.929600     -0.9679000     -0.4301000    
 H   -8.072600     -0.7059000      -1.160400    


%chk=000060542-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000060542

0 1
O 3.696688 -0.253959 -0.347853
O -2.564808 -1.269152 0.613018
C 2.404055 2.445176 -0.290964
C 2.369776 -2.777679 0.007410
C 1.637811 1.101218 -0.117374
C 1.623691 -1.418351 0.024686
C 2.306205 -0.168614 -0.146498
C 0.239585 1.082904 0.076756
C 0.230466 -1.353216 0.214078
C -0.479802 -0.125773 0.239706
C 1.451013 3.668959 -0.196265
C 3.071017 2.525422 -1.704243
C 3.463721 2.634621 0.845724
C 1.396178 -3.967055 0.226692
C 3.426555 -2.822204 1.154373
C 3.067975 -2.990290 -1.371221
C -1.960886 -0.164730 0.442697
C -2.745285 1.158893 0.455316
C -4.270975 0.983253 0.586329
C -4.912186 0.362279 -0.687761
C -6.383228 0.313566 -0.623425
C -7.615398 0.278290 -0.562673
H -0.301456 2.030454 0.104568
H -0.357751 -2.263471 0.349984
H 2.039998 4.596465 -0.316147
H 0.684632 3.656687 -0.992175
H 0.942587 3.720754 0.783571
H 2.297138 2.467685 -2.490498
H 3.604715 3.487476 -1.813906
H 3.797955 1.720176 -1.920064
H 3.984647 3.601012 0.715394
H 2.964050 2.640948 1.830935
H 4.240434 1.848275 0.892397
H 0.632743 -4.033183 -0.570246
H 0.878762 -3.906228 1.201821
H 1.974625 -4.908708 0.213397
H 2.937533 -2.705066 2.139446
H 4.181759 -2.029430 1.039974
H 3.942920 -3.800748 1.143836
H 3.586853 -3.967536 -1.376769
H 2.322798 -2.994777 -2.188469
H 3.808597 -2.201576 -1.574228
H -2.365227 1.768818 1.301007
H -2.502555 1.733279 -0.462652
H 4.090409 0.645039 -0.454408
H -4.496712 0.328101 1.446422
H -4.736245 1.967277 0.783119
H -4.608898 0.949876 -1.578568
H -4.512821 -0.660227 -0.818444
H -8.687558 0.238269 -0.507804


