%chk=000227453.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000227453

0 1
O 2.675198 -3.202756 0.207999
O 3.682079 2.235231 0.543026
O 5.530587 0.062011 1.589776
O 1.361106 1.419216 -0.522374
O 0.575275 -1.892958 -2.000158
O -6.673796 1.371726 0.851547
C 1.870974 -0.888667 -0.289678
C 2.793222 -1.849312 0.190579
C 2.238670 0.460014 -0.113820
C 3.466484 0.862027 0.454230
C 4.344862 -0.127220 0.950123
C 4.003197 -1.477135 0.812636
C 0.603339 -1.184023 -1.008661
C -0.622202 -0.571919 -0.445178
C -3.091484 -0.227170 -0.535585
C -1.822958 -0.779709 -1.011610
C -3.148365 0.712386 0.517797
C -4.290145 -0.638475 -1.146004
C -5.547565 0.788527 0.323089
C -4.361881 1.224378 0.953431
C -5.524585 -0.140721 -0.725777
C 1.522522 -3.876788 -0.354909
C 4.373498 2.773448 -0.624295
C 5.932417 1.416851 1.930711
C -7.957685 1.007549 0.287582
H 4.671113 -2.250539 1.191796
H -0.480473 0.059861 0.431587
H -1.890740 -1.417072 -1.907411
H -2.222224 1.042403 0.994127
H -4.261525 -1.361401 -1.963636
H -4.421498 1.948654 1.762946
H -6.436189 -0.473634 -1.209851
H 1.711259 2.338564 -0.283296
H 0.604521 -3.541687 0.133427
H 1.745077 -4.923612 -0.112419
H 1.490079 -3.716414 -1.443627
H 3.812571 2.556723 -1.536818
H 5.382437 2.355285 -0.685036
H 4.396316 3.845883 -0.407165
H 6.338853 1.899622 1.037326
H 6.707711 1.238006 2.685065
H 5.089664 1.987526 2.338729
H -8.146396 -0.060187 0.430534
H -8.005130 1.295317 -0.766491
H -8.646388 1.612991 0.891933


%chk=000227453-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000227453

0 1
O 2.798149 -3.166155 -0.133871
O 3.768514 2.357709 0.387923
O 5.894196 0.313379 0.775427
O 1.297698 1.573912 -0.239083
O 0.483272 -2.011132 -1.827721
O -6.955774 1.364632 0.720140
C 1.880328 -0.811124 -0.272583
C 2.926265 -1.778880 -0.073857
C 2.238730 0.553433 -0.049648
C 3.556292 0.950645 0.277359
C 4.563136 -0.028703 0.459540
C 4.241444 -1.382683 0.279799
C 0.547369 -1.148160 -0.883898
C -0.663680 -0.474852 -0.363229
C -3.189830 -0.203634 -0.469041
C -1.901900 -0.756406 -0.885787
C -3.327566 0.782913 0.557969
C -4.377364 -0.658163 -1.108574
C -5.755410 0.803345 0.272629
C -4.584172 1.278990 0.924203
C -5.650863 -0.170913 -0.752224
C 1.511244 -3.848991 0.058560
C 4.682315 2.906092 -0.652734
C 6.068848 1.061151 2.043794
C -8.199210 0.910691 0.088380
H 4.998195 -2.150361 0.453943
H -0.525486 0.246571 0.446372
H -1.920662 -1.483870 -1.711373
H -2.436421 1.164849 1.066709
H -4.296307 -1.410765 -1.902390
H -4.695514 2.034486 1.707879
H -6.538228 -0.547889 -1.268971
H 1.776603 2.432343 -0.052699
H 0.883192 -3.313728 0.796282
H 1.780569 -4.845648 0.442325
H 0.969415 -3.920020 -0.898311
H 4.266309 2.726373 -1.661334
H 5.676321 2.433981 -0.569611
H 4.747417 3.985829 -0.449680
H 5.463237 1.985035 2.051699
H 7.141824 1.299991 2.094125
H 5.784886 0.419842 2.899150
H -8.353803 -0.174430 0.243648
H -8.204055 1.137117 -0.995165
H -8.997720 1.476002 0.590127


