%chk=000229126.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000229126

0 1
O 0.547229 -0.087735 -0.379310
O -0.310322 -0.292343 1.729753
O 5.075268 0.340094 -1.876217
O 5.946930 0.604375 0.316454
C -2.804188 -1.460107 0.120583
C -3.064672 0.025652 0.367967
C -1.729244 -0.407324 -0.255850
C -2.565891 -2.351057 1.314025
C -3.483949 -2.164038 -1.028310
C -4.021572 0.805725 -0.445962
C -0.494240 -0.270295 0.539668
C -5.346669 0.822659 -0.225846
C -6.266192 1.655744 -1.064054
C -6.003481 0.036643 0.864993
C 1.885747 0.081208 -0.033203
C 2.705948 0.097200 -1.197547
C 2.372315 0.233734 1.260484
C 4.044524 0.279873 -0.953175
C 3.757342 0.418867 1.483286
C 4.564568 0.438463 0.369846
C 6.305073 0.546619 -1.099925
H -3.025652 0.371359 1.416316
H -1.569293 -0.216474 -1.330082
H -1.991120 -3.245163 1.039699
H -2.001993 -1.846685 2.115847
H -3.513353 -2.688595 1.751236
H -3.748170 -1.476183 -1.842959
H -2.839903 -2.945164 -1.452096
H -4.416670 -2.642171 -0.702659
H -3.571309 1.399704 -1.240754
H -6.941467 1.022862 -1.656605
H -6.893930 2.306335 -0.439212
H -5.731557 2.305833 -1.768627
H -5.967085 0.590071 1.814882
H -7.058041 -0.178035 0.654180
H -5.502924 -0.927182 1.035304
H 2.280006 -0.025979 -2.188303
H 1.695618 0.209550 2.120062
H 4.152156 0.538875 2.489002
H 6.719801 1.522067 -1.385954
H 6.946960 -0.330780 -1.253039


%chk=000229126-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000229126

0 1
O 0.392650 -0.394345 -0.461779
O -0.613993 -0.759462 1.646045
O 4.913879 0.963909 -1.702628
O 5.729884 0.948216 0.554676
C -2.898893 -2.124377 -0.129996
C -3.302302 -0.680081 0.197846
C -1.889703 -0.967738 -0.434736
C -2.628218 -3.071578 1.037093
C -3.488193 -2.817243 -1.358268
C -4.311654 0.096329 -0.566064
C -0.692194 -0.716832 0.394121
C -5.052453 1.149067 -0.104940
C -6.063205 1.836919 -1.007856
C -4.958748 1.727650 1.295485
C 1.714228 -0.067801 -0.030587
C 2.560196 0.280386 -1.121737
C 2.174586 -0.083678 1.308417
C 3.873580 0.616001 -0.804938
C 3.526189 0.259933 1.593263
C 4.351091 0.607780 0.524105
C 6.049067 1.375828 -0.832082
H -3.221487 -0.444090 1.265432
H -1.762129 -0.719502 -1.491538
H -1.949347 -3.889465 0.729560
H -2.168072 -2.549952 1.892191
H -3.578177 -3.527813 1.374059
H -3.602499 -2.136554 -2.219386
H -2.835974 -3.651856 -1.675291
H -4.485374 -3.234149 -1.121628
H -4.473649 -0.215003 -1.608513
H -7.083633 1.781012 -0.578254
H -5.827133 2.914204 -1.119132
H -6.091431 1.386431 -2.015246
H -4.706147 2.805632 1.250270
H -5.935712 1.655300 1.813789
H -4.202489 1.233812 1.925839
H 2.178137 0.277914 -2.144090
H 1.495304 -0.352444 2.116369
H 3.900081 0.248504 2.619909
H 6.139046 2.478380 -0.859349
H 6.961488 0.858957 -1.166531


