%chk=000163043.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000163043

0 1
 O  -6.3699998E-02 -0.9312000      0.6209000    
 O    3.272200       1.411100      0.1189000    
 O    3.266200      -1.310200     -0.8560000    
 O   0.5818000       2.591700     -0.1015000    
 O   -1.397700      0.9330000       1.055600    
 O  -0.1634000      -3.617900      4.8300002E-02
 O    2.997100       2.950600      -1.581500    
 O    4.920200     -0.7511000      0.6569000    
 O  -0.2537000       3.245300       1.950700    
 O   0.7033000      -5.614900      0.8218000    
 O   -6.686100      0.1082000      -2.204300    
 C    2.094400      0.7226000     -0.3045000    
 C    2.276000     -0.7624000      1.0300000E-02
 C   0.8793000       1.297900      0.4230000    
 C   0.9612000      -1.522500     -0.1797000    
 C  -0.3518000      0.4111000      0.2365000    
 C    1.087700      -2.983400      0.2406000    
 C    3.605800       2.512300     -0.6148000    
 C    4.553400      -1.236600     -0.4046000    
 C   -2.677100      0.7431000      0.6100000    
 C   1.5000000E-02   3.468500      0.7781000    
 C    4.853500       3.128800     -5.8699999E-02
 C    5.479400      -1.847800      -1.412200    
 C  -0.2213000      -4.945800      0.3807000    
 C   -3.163600     -0.5497000      0.4165000    
 C   -3.495200       1.842600      0.3498000    
 C  -0.2394000       4.777000      9.3099996E-02
 C   -4.468300     -0.7432000     -3.7099998E-02
 C   -4.799700       1.649000     -0.1040000    
 C   -5.286400      0.3562000     -0.2975000    
 C   -1.598000      -5.480800      0.1270000    
 C   -6.681100      0.1487000     -0.7824000    
 H    1.974000      0.8302000      -1.391600    
 H    2.581900     -0.8679000       1.061200    
 H    1.133900       1.373000       1.489700    
 H   0.6425000      -1.498500      -1.230800    
 H  -0.6671000      0.4359000     -0.8173000    
 H    1.352600      -3.045900       1.303100    
 H    1.853600      -3.492000     -0.3558000    
 H    5.676600       2.411800     -0.1129000    
 H    5.118400       4.009000     -0.6514000    
 H    4.682700       3.442400      0.9742000    
 H    5.222400      -2.899600      -1.561300    
 H    6.507200      -1.789000      -1.042700    
 H    5.415700      -1.297900      -2.354400    
 H   -2.551600      -1.421100      0.6278000    
 H   -3.122100       2.852100      0.4982000    
 H  -0.9339000       4.630300     -0.7380000    
 H  -0.6885000       5.476900      0.8035000    
 H   0.7042000       5.198400     -0.2624000    
 H   -4.836400      -1.755500     -0.1822000    
 H   -5.426700       2.513700     -0.3049000    
 H   -1.635100      -6.536800      0.4092000    
 H   -2.325100      -4.933000      0.7318000    
 H   -1.838300      -5.394500     -0.9356000    
 H   -7.095200     -0.7909000     -0.4002000    
 H   -7.338400      0.9594000     -0.4492000    
 H   -7.608000     -2.7700000E-02  -2.482100    


%chk=000163043-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000163043

0 1
O -0.178591 -0.656753 0.653748
O 3.153464 1.708526 0.458456
O 3.203152 -1.160452 -0.795249
O 0.567020 2.836454 -0.410990
O -1.566180 1.247320 0.768647
O -0.215072 -3.453260 -0.236586
O 4.428959 1.719292 -1.503736
O 4.921916 -0.978150 0.783270
O 0.575320 4.069880 1.583548
O 0.317734 -5.353669 0.999620
O -7.010422 -1.579103 -1.159342
C 2.062961 0.940358 -0.195309
C 2.216981 -0.561155 0.142774
C 0.761432 1.573121 0.331652
C 0.894288 -1.326299 -0.102221
C -0.459467 0.673781 0.078512
C 0.949981 -2.766691 0.379742
C 4.298427 2.023334 -0.297825
C 4.546689 -1.271653 -0.370673
C -2.872436 0.787618 0.434607
C 0.458757 4.029190 0.344674
C 5.307106 2.723746 0.577657
C 5.404942 -1.746373 -1.515381
C -0.439582 -4.771203 0.193179
C -3.136073 -0.434007 -0.222978
C -3.925360 1.640781 0.831544
C 0.185294 5.187828 -0.586085
C -4.476577 -0.783181 -0.506535
C -5.254845 1.270824 0.550758
C -5.545037 0.058612 -0.126948
C -1.700911 -5.324263 -0.429797
C -6.989816 -0.316423 -0.412417
H 2.140402 1.068863 -1.292551
H 2.570636 -0.679093 1.184346
H 0.833364 1.784793 1.414121
H 0.663762 -1.308771 -1.190347
H -0.675485 0.560204 -1.009459
H 0.872613 -2.825184 1.479579
H 1.879538 -3.262689 0.051281
H 5.798570 1.968530 1.218457
H 6.066946 3.217796 -0.045052
H 4.813428 3.451789 1.240875
H 4.882471 -2.508149 -2.115404
H 6.357779 -2.140500 -1.133044
H 5.609108 -0.881580 -2.173730
H -2.324884 -1.126154 -0.466518
H -3.686896 2.574588 1.349243
H -0.812687 5.068843 -1.043731
H 0.220543 6.131692 -0.023719
H 0.922913 5.205332 -1.405895
H -4.707729 -1.722153 -1.016175
H -6.070275 1.936895 0.860277
H -1.677562 -6.423581 -0.400091
H -2.576614 -4.975537 0.147843
H -1.819365 -4.967948 -1.465236
H -7.543007 -0.419892 0.547472
H -7.475842 0.495115 -0.997948
H -7.946483 -1.848237 -1.329109


