%chk=000068077.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000068077

0 1
 O   0.5632000      0.3980000     -7.0200004E-02
 O   -3.476100      -2.250700      0.2636000    
 O  -0.9535000       2.634300     -0.2723000    
 O   -4.947600      3.7300002E-02  5.5900000E-02
 O   -3.703600       2.479900     -0.2112000    
 O   -1.089200      -3.304600      0.3281000    
 O    6.884300      0.2628000     -0.1801000    
 C   -1.431400     -0.9775000      0.1018000    
 C  -0.8011000      0.2584000     -3.3399999E-02
 C   -2.825400      -1.059900      0.1325000    
 C   -1.563300       1.421900     -0.1392000    
 C   -3.585400      0.1055000      2.6799999E-02
 C   -2.955900       1.343900     -0.1088000    
 C    1.346900     -0.7407000      3.9000001E-02
 C  -0.6034000      -2.188400      0.2095000    
 C   0.8587000      -1.984800      0.1665000    
 C    2.798900     -0.4774000     -1.9099999E-02
 C    3.664600      -1.433100     -0.5565000    
 C    3.313200      0.7284000      0.4639000    
 C    5.036200      -1.184400     -0.6105000    
 C    4.684700      0.9771000      0.4098000    
 C    5.546200      2.0700000E-02 -0.1275000    
 C   -3.805300      -2.944000     -0.9380000    
 C  -0.6435000       3.337800      0.9283000    
 C   -5.572100      0.1331000       1.333600    
 C   -4.078500       2.891000      -1.523700    
 C    7.338300       1.515200      0.3312000    
 H    1.473600      -2.871800      0.2642000    
 H    3.304900      -2.374500     -0.9630000    
 H    2.664700       1.487400      0.8953000    
 H    5.702300      -1.931100      -1.034300    
 H    5.013700       1.932500      0.8040000    
 H   -4.097000      -3.964700     -0.6759000    
 H   -2.953900      -2.987900      -1.624900    
 H   -4.651300      -2.455100      -1.430700    
 H   4.6200000E-02   2.757000       1.548900    
 H   -1.555700       3.561900       1.490200    
 H  -0.1597000       4.280300      0.6575000    
 H   -5.249400     -0.6864000       1.983400    
 H   -6.654000      6.0800001E-02   1.192100    
 H   -5.344900       1.095600       1.802800    
 H   -4.690900       2.123800      -2.008000    
 H   -3.191800       3.101200      -2.130000    
 H   -4.669100       3.807300      -1.439800    
 H    7.134500       1.609900       1.403200    
 H    6.934000       2.355100     -0.2440000    
 H    8.426200       1.538700      0.2095000    


%chk=000068077-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000068077

0 1
O 0.644647 0.296768 0.017517
O -3.730118 -2.085649 -0.000255
O -0.623613 2.642517 -0.088806
O -4.964463 0.378323 -0.026940
O -3.443961 2.764709 0.063621
O -1.163649 -3.458346 0.020371
O 7.026704 0.176682 0.090441
C -1.458380 -1.022528 -0.033524
C -0.756052 0.220988 -0.007076
C -2.892031 -0.964474 -0.043980
C -1.406127 1.482444 -0.005136
C -3.560311 0.288661 0.002983
C -2.823170 1.509706 0.000160
C 1.413573 -0.872245 0.055618
C -0.655942 -2.283018 0.020110
C 0.794511 -2.102781 0.070708
C 2.856565 -0.580537 0.069907
C 3.822108 -1.622982 0.188594
C 3.318984 0.758194 -0.040886
C 5.193189 -1.337035 0.193537
C 4.695489 1.058006 -0.038140
C 5.639609 0.006443 0.078253
C -3.782886 -2.948423 -1.204386
C -0.727422 3.573379 1.060219
C -5.665524 -0.173754 1.158483
C -4.376549 3.097775 -1.042074
C 7.550068 1.541511 -0.035052
H 1.386221 -3.019621 0.102703
H 3.501962 -2.665392 0.282439
H 2.585205 1.563793 -0.135084
H 5.940264 -2.130735 0.285360
H 5.017201 2.099508 -0.128581
H -4.624153 -3.634019 -1.020192
H -2.841511 -3.513975 -1.293191
H -3.983749 -2.332867 -2.101302
H -0.370229 3.078890 1.983679
H -1.767139 3.919594 1.183733
H -0.066614 4.415751 0.805391
H -5.429724 -1.244309 1.272747
H -6.737005 -0.030745 0.951158
H -5.376147 0.390833 2.064791
H -5.190352 2.356796 -1.092631
H -3.822078 3.137515 -1.998047
H -4.769013 4.094911 -0.792040
H 7.217440 2.177164 0.807906
H 7.242811 2.001154 -0.993961
H 8.643661 1.431218 -0.008646


