%chk=000028683.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000028683

0 1
 O    4.310900     -0.2592000       1.198000    
 O   0.6488000     -0.7173000       2.093600    
 O    3.262900      -2.366200     -0.7717000    
 O   -1.321800     -0.1445000      -1.736600    
 O   -4.197300     -0.4524000      -1.356600    
 O   -2.180100       4.531700     -0.1550000    
 C    2.289600      0.9663000      0.4043000    
 C    3.157800     -0.2617000      0.3317000    
 C    3.180000      0.7325000     -0.7941000    
 C   0.7852000      0.8622000      0.2200000    
 C   0.2547000     -0.5360000      0.7188000    
 C    2.538400      -1.617400      0.2054000    
 C    1.017600      -1.624800     -0.1229000    
 C    2.631900      0.3464000      -2.127100    
 C    4.367400       1.632500     -0.9177000    
 C   -1.307300     -0.5336000      0.7283000    
 C   3.5799999E-02   2.078100      0.7309000    
 C   -1.983300      9.8700002E-02 -0.5040000    
 C   0.5198000      -3.067200      4.6500001E-02
 C   -2.252800       1.601200     -0.3367000    
 C   -1.236000       2.425100      0.4426000    
 C   -2.074700      -1.808100      0.9423000    
 C   -3.254900     -0.7153000     -0.6240000    
 C   -3.193300      -1.924600      0.2196000    
 C   -1.778900       3.740500      0.9441000    
 C   -4.220600      -2.986800      0.2204000    
 H    2.580800       1.709000       1.138900    
 H   0.5998000      0.9270000     -0.8541000    
 H    2.685800      -2.142600       1.157800    
 H   0.8380000      -1.447100      -1.180700    
 H    1.680400     -0.1617000      -2.182600    
 H    2.496200       1.251200      -2.733700    
 H    3.361300     -0.2732000      -2.661800    
 H    5.192900       1.112600      -1.415900    
 H    4.119400       2.520500      -1.509800    
 H    4.736200       1.989800      5.0099999E-02
 H   -1.609500      4.2500000E-02   1.619200    
 H   0.6213000       2.772700       1.331400    
 H    4.043800     -0.3728000       2.126100    
 H    1.193100      -3.782900     -0.4383000    
 H   0.4507000      -3.346900       1.102500    
 H  -0.4524000      -3.212500     -0.4306000    
 H   0.3477000      5.5300001E-02   2.601000    
 H    2.872400      -2.201700      -1.645300    
 H   -3.212400       1.706900      0.1892000    
 H   -2.388400       2.069100      -1.320200    
 H   -1.788500      -2.531300       1.695400    
 H   -1.832600      0.2749000      -2.450000    
 H   -1.030000       4.308800       1.505400    
 H   -2.634200       3.583900       1.610500    
 H   -3.977100      -3.777900      0.9370000    
 H   -4.299900      -3.443200     -0.7711000    
 H   -5.198100      -2.575800      0.4913000    
 H   -3.033600       4.192000     -0.4737000    


%chk=000028683-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000028683

0 1
O 4.281541 -0.369103 1.145459
O 0.677989 -0.795418 2.069913
O 3.074123 -2.449826 -1.001167
O -1.253210 -0.128460 -1.767612
O -4.248050 -0.437079 -1.535658
O -2.360064 4.633299 -0.021217
C 2.260057 0.969663 0.316001
C 3.128301 -0.291551 0.254417
C 3.273037 0.765326 -0.854445
C 0.748593 0.841836 0.127126
C 0.237621 -0.557277 0.665173
C 2.462452 -1.656780 0.088325
C 0.928683 -1.680466 -0.163094
C 2.775896 0.491593 -2.272290
C 4.521862 1.647831 -0.827274
C -1.327042 -0.518368 0.686673
C 0.020915 2.063564 0.675551
C -2.038153 0.128639 -0.533342
C 0.429388 -3.116142 0.112665
C -2.315671 1.638726 -0.335868
C -1.274510 2.431774 0.450318
C -2.126895 -1.777739 0.961383
C -3.340905 -0.714515 -0.698574
C -3.278867 -1.872310 0.221359
C -1.803362 3.741342 1.019908
C -4.349464 -2.927012 0.262255
H 2.586344 1.706868 1.062120
H 0.512834 0.799445 -0.952855
H 2.636594 -2.183681 1.052635
H 0.740483 -1.456323 -1.227430
H 1.913682 -0.190031 -2.318537
H 2.492523 1.444806 -2.759341
H 3.579640 0.027759 -2.872539
H 5.345026 1.177667 -1.397541
H 4.300885 2.627289 -1.293065
H 4.883867 1.811264 0.200067
H -1.535162 0.162250 1.543497
H 0.639038 2.765933 1.256522
H 3.945296 -0.582095 2.054682
H 1.100557 -3.826564 -0.400526
H 0.444701 -3.340227 1.194747
H -0.591014 -3.277644 -0.274221
H 0.393021 -0.015886 2.614195
H 4.055097 -2.430734 -0.862472
H -3.288163 1.739423 0.194053
H -2.477501 2.101145 -1.330439
H -1.828817 -2.481312 1.744224
H -1.859582 0.031699 -2.539294
H -0.985823 4.323652 1.475047
H -2.576528 3.547144 1.797085
H -4.163005 -3.670500 1.055125
H -4.411210 -3.456561 -0.706693
H -5.342461 -2.470742 0.429336
H -3.251687 4.301109 -0.296266


