%chk=000021093.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000021093

0 1
 O    4.731600       1.287300     -0.6354000    
 O   -4.556200      0.9041000      -1.320200    
 C    2.028000     -0.9398000      0.4613000    
 C    2.621400      1.3100000E-02 -0.6016000    
 C   0.4883000      -1.009300      0.5526000    
 C  -0.1991000      0.3746000      0.4470000    
 C    1.875800       1.364800     -0.6339000    
 C    4.073800      0.1578000     -9.0499997E-02
 C    2.654100     -0.4523000       1.787700    
 C   0.3581000       1.210000     -0.7182000    
 C    3.957200      0.2559000       1.426000    
 C  -0.1128000      -1.982100     -0.4702000    
 C   -1.717900      0.2696000      0.3559000    
 C    2.655800     -0.5953000      -2.013400    
 C   -1.610400      -2.167100     -0.2320000    
 C   -2.351300     -0.8833000      5.0299998E-02
 C   -2.481000       1.536800      0.6767000    
 C   -3.859600     -0.9963000     -2.2299999E-02
 C   -3.961000       1.306400      0.9884000    
 C   -4.594700      0.3451000     -8.2000000E-03
 H    2.414900      -1.954700      0.2884000    
 H   0.2463000      -1.424100       1.543400    
 H   2.9300001E-02  0.9111000       1.378300    
 H    2.221000       1.967600      -1.483500    
 H    2.105800       1.953500      0.2631000    
 H    4.665800     -0.7325000     -0.3402000    
 H    2.836900      -1.298200       2.459700    
 H    2.000500      0.2434000       2.324600    
 H  -8.3300002E-02   2.214200     -0.7047000    
 H   7.4900001E-02  0.7695000      -1.681300    
 H    3.939700       1.298700       1.763700    
 H    4.817200     -0.2151000       1.914400    
 H   0.3814000      -2.959100     -0.4092000    
 H   3.1800002E-02  -1.620100      -1.491300    
 H    3.244600      2.6000001E-02  -2.697400    
 H    3.108600      -1.593100      -2.004700    
 H    1.662400     -0.6895000      -2.455300    
 H   -1.761800      -2.845500      0.6171000    
 H   -2.037500      -2.659800      -1.113800    
 H   -2.027600       2.037600       1.540600    
 H   -2.393600       2.224600     -0.1730000    
 H   -4.134100      -1.548200     -0.9297000    
 H   -4.188100      -1.592300      0.8386000    
 H    4.804100       1.155700      -1.595300    
 H   -4.065700      0.9047000       2.004000    
 H   -4.478500       2.272700      0.9630000    
 H   -5.649200      0.1900000      0.2461000    
 H   -5.013000      0.2871000      -1.916900    


%chk=000021093-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000021093

0 1
O 4.839226 1.339445 -0.567831
O -4.629723 1.031179 -1.253286
C 2.029402 -0.948165 0.461425
C 2.648715 0.005373 -0.620191
C 0.477607 -1.035685 0.517395
C -0.205239 0.358877 0.419614
C 1.898660 1.367925 -0.638722
C 4.103180 0.171585 -0.062580
C 2.656671 -0.471417 1.818810
C 0.369090 1.197469 -0.760768
C 3.960270 0.306175 1.465988
C -0.143914 -2.002746 -0.519467
C -1.729881 0.258201 0.351515
C 2.699762 -0.607189 -2.040322
C -1.644290 -2.210615 -0.224053
C -2.380861 -0.905656 0.054794
C -2.495337 1.550788 0.615772
C -3.901431 -1.007039 0.016475
C -3.960522 1.311110 1.036273
C -4.644948 0.344832 0.059183
H 2.410784 -1.972428 0.255116
H 0.222402 -1.453419 1.517408
H 0.042462 0.926215 1.345632
H 2.284310 1.989647 -1.469617
H 2.123767 1.929133 0.289370
H 4.665819 -0.757542 -0.315249
H 2.854847 -1.338749 2.474147
H 1.949122 0.180209 2.364028
H -0.110799 2.194564 -0.771723
H 0.100771 0.715806 -1.721274
H 3.876157 1.379696 1.712734
H 4.850067 -0.078683 1.992639
H 0.386581 -2.975473 -0.495915
H -0.029204 -1.599692 -1.543438
H 3.325365 0.015142 -2.713770
H 3.133907 -1.625390 -2.020084
H 1.703192 -0.676733 -2.507650
H -1.763558 -2.893689 0.646567
H -2.128156 -2.730707 -1.077523
H -1.973401 2.139703 1.396806
H -2.496033 2.173220 -0.301353
H -4.213789 -1.570766 -0.891108
H -4.246593 -1.628898 0.872101
H 4.987315 1.229596 -1.541487
H -4.001471 0.868087 2.050566
H -4.518992 2.264600 1.058986
H -5.700885 0.172903 0.362559
H -4.927526 0.393401 -1.949792


