%chk=000168876.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000168876

0 1
 O    1.255400     -0.5928000      2.0199999E-02
 O    3.665900       2.654100      0.7413000    
 O    4.833100      0.1472000     -0.1539000    
 O  -0.6429000      0.7544000     -0.1361000    
 O    1.013600       3.016600     -0.4866000    
 O    4.218500      -2.475700     -1.8999999E-02
 O    2.164500      -2.805700      0.9127000    
 O   -1.116400      -1.188200      -1.276800    
 O   -3.299900      -2.348200     -0.1489000    
 C    2.990300       1.695500     -7.4199997E-02
 C    3.494700      0.3053000      0.3138000    
 C    1.480900       1.820000      0.1357000    
 C    2.626400     -0.7786000     -0.3129000    
 C   0.7366000      0.6361000     -0.4823000    
 C    2.942400      -2.119300      0.2668000    
 C   -1.457300     -0.2298000     -0.6011000    
 C   -2.859500      9.2000002E-03 -0.1757000    
 C   -3.708300      -1.060300      2.8600000E-02
 C   -3.271000       1.315700      3.0000000E-03
 C   -5.022000     -0.8142000      0.4277000    
 C   -4.584600       1.562000      0.4028000    
 C   -5.460100      0.4969000      0.6148000    
 H    3.249900       1.935100      -1.112900    
 H    3.519400      0.2093000       1.406300    
 H    1.248400       1.901400       1.204800    
 H    2.736200     -0.8432000      -1.402500    
 H   0.8162000      0.6630000      -1.577900    
 H    4.620300       2.542700      0.5913000    
 H    4.825700      0.2301000      -1.122800    
 H    1.512200       3.757500     -0.1016000    
 H    4.446400      -3.353500      0.3548000    
 H   -2.616600       2.165100     -0.1696000    
 H   -5.715300      -1.634000      0.5965000    
 H   -4.927100       2.582800      0.5451000    
 H   -6.483200      0.6887000      0.9248000    
 H   -4.042000      -2.946500      4.4300001E-02


%chk=000168876-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000168876

0 1
O 1.332170 -0.539519 0.394175
O 3.581395 2.921044 -0.272181
O 4.942285 0.398858 -0.231122
O -0.636336 0.604985 -0.047792
O 0.877539 2.803410 -1.192055
O 4.600095 -2.082173 0.841936
O 2.493338 -2.753613 1.566900
O -1.257232 -0.912956 -1.724823
O -3.947332 -1.481611 -1.837599
C 2.941339 1.634846 -0.556388
C 3.572055 0.501978 0.266524
C 1.444548 1.830580 -0.264573
C 2.727542 -0.793769 0.040583
C 0.725325 0.493173 -0.482040
C 3.181865 -1.971472 0.900706
C -1.594313 -0.211413 -0.752322
C -2.937731 -0.051109 -0.145134
C -4.089622 -0.695280 -0.695225
C -3.108387 0.753310 1.017312
C -5.358442 -0.527587 -0.083105
C -4.366759 0.918473 1.622510
C -5.496997 0.272253 1.066573
H 3.068842 1.378779 -1.632149
H 3.551081 0.758969 1.346659
H 1.315114 2.151400 0.789823
H 2.832357 -1.089912 -1.029613
H 0.771719 0.161584 -1.540136
H 4.554239 2.813698 -0.431890
H 5.354484 -0.413688 0.169817
H 1.458575 3.607667 -1.158293
H 4.893496 -2.866135 1.379927
H -2.224005 1.242439 1.430698
H -6.235726 -1.027565 -0.514449
H -4.469205 1.541241 2.516189
H -6.484080 0.390506 1.526622
H -4.822436 -1.862690 -2.105563


