%chk=000122172.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000122172

0 1
 O    2.266000       4.057500      0.2661000    
 O    3.666000      -3.986000     -0.6474000    
 O   -4.951100     -0.6301000      -1.315000    
 O   -4.746200       1.432200      -2.243300    
 C    2.001600       1.677800     -0.1424000    
 C    3.130500      0.6378000     -3.2099999E-02
 C    4.328900       1.340300     -0.6745000    
 C   0.9198000       1.504700      0.9089000    
 C    4.261500       2.766000     -0.1381000    
 C    2.776500       2.970600      2.5599999E-02
 C  -0.3462000       2.283400      0.5463000    
 C    2.814400     -0.6646000     -0.6886000    
 C   -1.418100       2.135300       1.628000    
 C    2.824400      -1.844100     -5.0500002E-02
 C   -2.712500       2.890500       1.311400    
 C    2.506500      -3.153600     -0.7162000    
 C    1.357700      -3.907700     -3.2800000E-02
 C   -3.417900       2.488800      1.2900000E-02
 C   6.5499999E-02  -3.090100      5.3199999E-02
 C   -1.059400      -3.809500      0.8047000    
 C   -3.882600       1.033000     -1.7000000E-03
 C   -2.372500      -3.026100      0.8315000    
 C   -4.562000      0.6718000      -1.303200    
 C   -3.450900      -3.778000       1.597200    
 H    1.580400       1.673700      -1.156100    
 H    3.365300      0.4755000       1.030500    
 H    5.279700      0.8596000     -0.4212000    
 H    4.241000       1.349400      -1.768900    
 H    1.284400       1.833600       1.890200    
 H   0.6570000      0.4442000       1.004500    
 H    4.741300       2.846900      0.8415000    
 H    4.686400       3.485300     -0.8413000    
 H  -0.1263000       3.346700      0.4075000    
 H  -0.7230000       1.903900     -0.4099000    
 H    2.560300     -0.6388000      -1.745800    
 H   -1.637400       1.073900       1.791900    
 H   -1.022700       2.516600       2.577800    
 H    3.082300      -1.877900       1.005500    
 H   -3.407200       2.757300       2.150000    
 H   -2.490000       3.964000       1.264200    
 H    2.263500      -3.013000      -1.776100    
 H    1.668100      -4.209900      0.9767000    
 H    1.171700      -4.845000     -0.5727000    
 H   -4.292400       3.140200     -0.1161000    
 H   -2.771900       2.689900     -0.8492000    
 H   0.2503000      -2.136400      0.5603000    
 H  -0.2729000      -2.849700     -0.9622000    
 H   -1.233800      -4.786100      0.3360000    
 H  -0.7323000      -4.006500       1.833300    
 H   -4.589800      0.8588000      0.8162000    
 H   -3.026500      0.3606000      0.1139000    
 H    4.383200      -3.532100      -1.122500    
 H   -2.716600      -2.842300     -0.1928000    
 H   -2.211500      -2.048300       1.300100    
 H   -3.656300      -4.748600       1.134500    
 H   -3.148500      -3.948400       2.635300    
 H   -4.381000      -3.201300       1.604400    
 H   -5.389900     -0.8727000      -2.158000    


%chk=000122172-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000122172

0 1
O 2.268298 4.164455 0.147179
O 3.732646 -4.149278 -0.256527
O -5.471241 -0.736004 -0.724106
O -4.989666 1.118748 -2.033160
C 2.147228 1.688538 -0.136809
C 3.342547 0.681966 -0.044283
C 4.492382 1.419575 -0.803018
C 1.027950 1.493832 0.911435
C 4.333904 2.900111 -0.390317
C 2.832560 3.071756 -0.103150
C -0.295677 2.214162 0.563990
C 3.018123 -0.681274 -0.599670
C -1.373464 2.019768 1.655324
C 2.977996 -1.838050 0.113396
C -2.685038 2.803966 1.393600
C 2.618898 -3.187121 -0.468108
C 1.393857 -3.836931 0.201874
C -3.485299 2.370013 0.140540
C 0.080910 -3.063366 -0.043301
C -1.149553 -3.734660 0.606916
C -4.024164 0.929543 0.246978
C -2.446462 -2.916045 0.418355
C -4.846722 0.506659 -0.952709
C -3.693806 -3.579389 1.039525
H 1.700204 1.588536 -1.153843
H 3.625244 0.582411 1.024739
H 5.482949 1.001284 -0.557796
H 4.344310 1.306791 -1.894830
H 1.389877 1.850219 1.897693
H 0.837431 0.405258 1.016276
H 4.880920 3.119491 0.548826
H 4.678938 3.635292 -1.137815
H -0.095411 3.293878 0.430657
H -0.666122 1.833315 -0.410319
H 2.771722 -0.711028 -1.675424
H -1.589548 0.937170 1.777963
H -0.955632 2.356120 2.626320
H 3.220439 -1.836714 1.187614
H -3.341401 2.718341 2.284613
H -2.434489 3.879287 1.294114
H 2.424702 -3.074883 -1.558806
H 1.591073 -3.924040 1.288606
H 1.306503 -4.868775 -0.191021
H -4.338119 3.060640 -0.001887
H -2.865453 2.466250 -0.769687
H 0.180456 -2.029680 0.348017
H -0.094856 -2.965632 -1.135603
H -1.288388 -4.749224 0.178617
H -0.961703 -3.878873 1.691459
H -4.646725 0.802121 1.153717
H -3.198709 0.197726 0.348948
H 4.570572 -3.728051 -0.578952
H -2.619913 -2.747771 -0.664469
H -2.302645 -1.910878 0.868766
H -3.878132 -4.573691 0.589920
H -3.566495 -3.724935 2.129116
H -4.592640 -2.957460 0.877314
H -5.990367 -0.990469 -1.535295


