%chk=000016818.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000016818

0 1
 O    5.119800      -1.127100     -0.1227000    
 O   -4.528100      -2.310100      0.5331000    
 O   -5.356800      0.2432000       1.279700    
 C    2.733400     -0.5265000     -0.2215000    
 C    1.993800      0.7083000      0.3364000    
 C   0.6397000      0.9546000     -0.3418000    
 C  -0.2743000     -0.2998000     -0.1260000    
 C    4.079400     -0.4329000      0.5625000    
 C    1.854500      -1.758400      4.7800001E-02
 C    3.047800       1.809600      0.2812000    
 C   0.4477000      -1.606300     -0.5609000    
 C    4.378200       1.089700      0.5707000    
 C   -1.706700     -0.1067000     -0.7527000    
 C  -3.5300002E-02   2.224300      0.2001000    
 C    3.018800     -0.4417000      -1.749700    
 C   -1.413000       2.437800     -0.4185000    
 C   -2.273400       1.214300     -0.2244000    
 C    4.048900     -0.9877000       1.992300    
 C   -1.673600     -6.1299998E-02  -2.297000    
 C   -2.607100      -1.278600     -0.3863000    
 C   -3.441400       1.314600      0.4292000    
 C   -3.771900      -1.189200      0.2660000    
 C   -4.280300      0.1300000      0.7024000    
 H    1.776400      0.5427000       1.402700    
 H   0.8004000       1.109000      -1.414100    
 H  -0.4191000     -0.3937000      0.9633000    
 H    1.729000      -1.916800       1.125400    
 H    2.331000      -2.664000     -0.3465000    
 H    2.855400       2.596100       1.018300    
 H    3.079800       2.284300     -0.7060000    
 H   0.5154000      -1.660900      -1.651600    
 H  -0.1352000      -2.479000     -0.2469000    
 H    5.125800       1.374200     -0.1786000    
 H    4.775600       1.412900       1.540100    
 H   0.5852000       3.102400     -1.3400000E-02
 H  -0.1291000       2.160600       1.292200    
 H    2.111100     -0.3268000      -2.347400    
 H    3.668900      0.3996000      -2.010200    
 H    3.508500      -1.356700      -2.103100    
 H   -1.317200       2.658100      -1.487900    
 H   -1.870000       3.325400      3.5999998E-02
 H    3.283700     -0.5191000       2.616700    
 H    3.887100      -2.071300       1.988600    
 H    5.019700     -0.8349000       2.479100    
 H   -2.663800      0.1773000      -2.706500    
 H  -0.9795000      0.6910000      -2.683300    
 H   -1.376800      -1.024300      -2.728200    
 H   -2.292200      -2.268000     -0.7123000    
 H    5.386000     -0.6170000     -0.9051000    
 H   -3.807800       2.266200      0.8000000    
 H   -5.327300      -2.016400       1.003800    


%chk=000016818-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000016818

0 1
O 5.191837 -1.223639 -0.017930
O -4.547135 -2.317891 0.583895
O -5.361003 0.077931 1.456280
C 2.736290 -0.528585 -0.217073
C 1.994912 0.738822 0.307717
C 0.632536 0.982405 -0.377951
C -0.269344 -0.277704 -0.149188
C 4.095440 -0.437693 0.593018
C 1.839670 -1.759490 0.047982
C 3.071602 1.853646 0.259281
C 0.438745 -1.587602 -0.600530
C 4.407498 1.108249 0.587015
C -1.733846 -0.101469 -0.774657
C -0.049319 2.260816 0.158556
C 3.067225 -0.440652 -1.734135
C -1.465665 2.453285 -0.447229
C -2.299828 1.210372 -0.225553
C 4.023697 -1.008654 2.018775
C -1.678636 -0.015974 -2.342093
C -2.588224 -1.306471 -0.432829
C -3.468313 1.267110 0.494430
C -3.747449 -1.221624 0.282010
C -4.261439 0.078516 0.791444
H 1.767331 0.549615 1.380798
H 0.801095 1.117632 -1.466933
H -0.430063 -0.356296 0.949812
H 1.704232 -1.893316 1.138758
H 2.316964 -2.683035 -0.333522
H 2.865962 2.666298 0.977842
H 3.107887 2.313516 -0.747211
H 0.532600 -1.609068 -1.702898
H -0.179619 -2.459040 -0.319312
H 5.189325 1.332519 -0.163717
H 4.817601 1.416895 1.564596
H 0.570842 3.148137 -0.069303
H -0.132834 2.195892 1.262937
H 2.163440 -0.308770 -2.351750
H 3.741455 0.403702 -1.973217
H 3.553009 -1.376380 -2.065803
H -1.360829 2.661778 -1.531304
H -1.961583 3.331180 0.004319
H 3.228164 -0.529840 2.615984
H 3.844084 -2.096416 1.990324
H 4.989190 -0.838636 2.525567
H -2.684250 0.199502 -2.743208
H -0.989271 0.771455 -2.692181
H -1.345933 -0.977850 -2.768338
H -2.273989 -2.281112 -0.821061
H 5.423264 -0.819812 -0.892030
H -3.843925 2.219867 0.885270
H -5.322300 -1.951123 1.109347


