%chk=000107845.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000107845

0 1
 O    4.216700      0.6661000      0.1611000    
 O    5.452000     -5.2999998E-03  -1.672100    
 O   -6.450000      0.4838000     -0.9457000    
 C   0.9205000     -0.8441000     -0.1590000    
 C    1.819400      0.2148000      0.5209000    
 C  -0.4275000     -0.9698000      0.5513000    
 C    3.045900      0.1058000     -0.4040000    
 C    1.839400      -2.049200     -0.3054000    
 C    3.206300      -1.414900     -0.6278000    
 C   -1.154800      0.3897000      0.4685000    
 C   -1.266100      -2.122600     -8.7000001E-03
 C    1.067700       1.519000      0.5251000    
 C    2.205300     -8.6800002E-02   1.989300    
 C  -0.2777000       1.571600      0.5225000    
 C   -2.503900      0.4602000      0.3258000    
 C   -2.665300      -2.067600      0.5908000    
 C   -3.327500     -0.7591000      0.2391000    
 C   -3.308800       1.746100      0.2685000    
 C   -4.609500     -0.7554000     -0.1640000    
 C   -4.395500       1.710600     -0.7979000    
 C    5.361700      0.5410000     -0.5810000    
 C   -5.261500      0.4889000     -0.6345000    
 C    6.513200       1.177100      0.1370000    
 H   0.7012000     -0.5154000      -1.191400    
 H  -0.2627000      -1.186700       1.615000    
 H    2.838700      0.6080000      -1.359900    
 H    1.512400      -2.723100      -1.103700    
 H    1.892500      -2.631900      0.6207000    
 H    3.987500      -1.855900      1.7000000E-03
 H    3.472200      -1.621600      -1.670600    
 H  -0.7999000      -3.083200      0.2400000    
 H   -1.322100      -2.066200      -1.104000    
 H    1.637500       2.442400      0.5811000    
 H    1.334100     -0.1009000       2.653300    
 H    2.715000      -1.048700       2.101400    
 H    2.881700      0.6829000       2.381300    
 H  -0.7252000       2.558200      0.5548000    
 H   -2.612800      -2.167000       1.682500    
 H   -3.244700      -2.921600      0.2197000    
 H   -3.772600       1.898900       1.252700    
 H   -2.695100       2.628200      7.3600002E-02
 H   -5.200200      -1.664400     -0.2086000    
 H   -3.963300       1.695800      -1.804800    
 H   -5.025300       2.601900     -0.7039000    
 H    6.668900      0.6811000       1.098200    
 H    6.316600       2.242400      0.2805000    
 H    7.420800       1.067200     -0.4634000    


%chk=000107845-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000107845

0 1
O 4.307539 0.552617 0.260133
O 5.419845 0.547212 -1.793031
O -6.659443 0.687905 -0.557719
C 0.953996 -0.980107 -0.187717
C 1.858811 0.098135 0.487985
C -0.438878 -1.048167 0.464596
C 3.126804 -0.086877 -0.385158
C 1.861320 -2.234084 -0.257955
C 3.285229 -1.633920 -0.537979
C -1.110049 0.337835 0.341581
C -1.330414 -2.170079 -0.103715
C 1.152738 1.432218 0.411379
C 2.187133 -0.200722 1.983578
C -0.218072 1.506071 0.361480
C -2.493373 0.463064 0.214574
C -2.736797 -2.075370 0.522477
C -3.364142 -0.721103 0.231852
C -3.212610 1.811012 0.146435
C -4.728181 -0.623985 0.011764
C -4.473078 1.783990 -0.748969
C 5.401660 0.825273 -0.573157
C -5.398039 0.613467 -0.411359
C 6.511753 1.485819 0.215571
H 0.795345 -0.638240 -1.235149
H -0.302498 -1.260339 1.548786
H 2.995949 0.387135 -1.375907
H 1.545319 -2.932254 -1.052069
H 1.845820 -2.793680 0.696286
H 4.028899 -2.001016 0.192111
H 3.658886 -1.886448 -1.543596
H -0.879825 -3.156018 0.116012
H -1.401148 -2.074743 -1.205709
H 1.753680 2.350435 0.453678
H 1.270885 -0.193673 2.598130
H 2.689417 -1.176198 2.109104
H 2.865649 0.575100 2.376160
H -0.674754 2.501410 0.342218
H -2.643596 -2.207209 1.621567
H -3.395601 -2.883727 0.158238
H -3.521474 2.089829 1.176212
H -2.543691 2.611650 -0.208860
H -5.366418 -1.512219 0.098339
H -4.176028 1.675167 -1.812453
H -5.042783 2.725723 -0.665278
H 6.836034 0.827339 1.039985
H 6.150682 2.425078 0.669155
H 7.362702 1.696994 -0.447607


