%chk=000176639.chk
%nprocshared=4
%mem=7500MB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000176639

0 1
 O   -1.815200     -0.9527000     -0.2397000    
 O   -1.322400       1.371200     -0.1460000    
 C   -3.133700     -0.7604000      0.2820000    
 C  -0.9206000      5.4400001E-02  0.2407000    
 C   -3.625500      0.6416000     -8.3099999E-02
 C   0.4464000     -0.2112000     -0.3666000    
 C   -2.613400       1.683800      0.3760000    
 C    1.477500      0.8113000      0.1099000    
 C   -4.035900      -1.837200     -0.3020000    
 C    2.821600      0.5597000     -0.5130000    
 C    3.840600     -0.1622000     -9.3999999E-03
 C    5.164900     -0.3758000     -0.6863000    
 C    3.715700     -0.8226000       1.337500    
 H   -3.100100     -0.8795000       1.372400    
 H  -0.8531000     -6.8000001E-03   1.335300    
 H   -4.609800      0.8411000      0.3528000    
 H   -3.715100      0.7135000      -1.174600    
 H   0.7668000      -1.231000     -0.1182000    
 H   0.3723000     -0.1729000      -1.461900    
 H   -2.896200       2.675600      1.0200000E-02
 H   -2.559800       1.732900       1.469800    
 H    1.533300      0.8248000       1.203300    
 H    1.170600       1.824800     -0.1771000    
 H   -3.660400      -2.832100     -3.9299998E-02
 H   -5.060800      -1.741500      6.8999998E-02
 H   -4.051100      -1.786900      -1.396400    
 H    2.959900       1.010500      -1.494900    
 H    5.333100      -1.441800     -0.8700000    
 H    5.212600      0.1415000      -1.650200    
 H    5.978700      5.5000000E-03 -6.1200000E-02
 H    4.345000     -0.3041000       2.068300    
 H    2.697800     -0.8609000       1.731000    
 H    4.056100      -1.862500       1.274000    


%chk=000176639-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000176639

0 1
O -1.970695 -0.967096 -0.343572
O -1.342695 1.362180 -0.119326
C -3.338932 -0.715198 0.188246
C -1.001687 -0.024162 0.216995
C -3.742845 0.742472 -0.127450
C 0.364704 -0.337723 -0.379773
C -2.673536 1.708944 0.418894
C 1.497565 0.520381 0.244107
C -4.249142 -1.766726 -0.443327
C 2.823608 0.301293 -0.454426
C 3.991938 -0.170567 0.069956
C 5.231618 -0.318609 -0.799938
C 4.188387 -0.579496 1.519850
H -3.303669 -0.847566 1.296169
H -1.018704 -0.121018 1.333057
H -4.728552 0.970977 0.323833
H -3.824115 0.862732 -1.223418
H 0.569643 -1.413312 -0.231381
H 0.304997 -0.159228 -1.469351
H -2.853725 2.750361 0.108118
H -2.644355 1.662565 1.531591
H 1.573693 0.302342 1.326357
H 1.201365 1.584453 0.155241
H -3.893620 -2.781950 -0.197015
H -5.285518 -1.655608 -0.075604
H -4.250430 -1.659455 -1.542259
H 2.818900 0.559132 -1.526174
H 5.587873 -1.368418 -0.810844
H 5.039992 -0.010491 -1.842521
H 6.068524 0.294553 -0.408875
H 4.959935 0.053081 2.003116
H 3.266633 -0.504447 2.119058
H 4.552646 -1.624295 1.582967


