%chk=000185499.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000185499

0 1
O 2.998730 0.832923 1.658688
O 2.842654 0.479981 -1.933479
O -4.180416 1.292206 1.184009
O -4.845385 1.416569 -0.969454
C -0.842436 -1.165494 -0.239485
C 0.588528 -0.690763 0.174368
C -1.791474 0.064470 -0.071809
C -1.297688 -2.279859 0.738874
C 0.980937 0.590703 -0.518690
C -3.268594 -0.339873 -0.291763
C 1.676410 -1.745558 -0.092184
C -1.387135 1.212931 -1.015854
C 3.345047 0.131791 0.441822
C 2.462390 0.889415 -0.601431
C -2.766699 -2.669884 0.543144
C 2.983374 -1.359351 0.608450
C -0.849339 -1.688398 -1.683096
C -3.690001 -1.455110 0.680835
C 0.090783 1.449360 -1.034483
C 4.869345 0.317261 0.153399
C -4.179220 0.862121 -0.126437
C 5.239637 1.799466 0.033767
C 5.724597 -0.341693 1.242798
C -4.995534 2.453725 1.490882
H 0.575660 -0.467787 1.276098
H -1.692018 0.431194 0.982126
H -1.142627 -1.943575 1.782269
H -0.655386 -3.171483 0.611909
H -3.393837 -0.704223 -1.346572
H 1.854388 -1.823451 -1.186264
H 1.347333 -2.743985 0.246236
H -1.909921 2.145097 -0.716041
H -1.727338 1.002077 -2.053237
H 2.643467 1.985013 -0.490905
H -3.051250 -3.439899 1.285660
H -2.904185 -3.141204 -0.449569
H 2.904203 -1.582662 1.690883
H 3.794952 -2.004291 0.220670
H -1.867548 -1.802093 -2.069190
H -0.316430 -1.001215 -2.354059
H -0.358607 -2.662830 -1.764558
H -4.739182 -1.749480 0.489878
H -3.663406 -1.070594 1.721649
H 0.398390 2.371193 -1.526635
H 5.085433 -0.190470 -0.820717
H 3.602775 0.585365 2.384940
H 3.704143 0.872334 -2.176069
H 6.326019 1.942931 0.032033
H 4.855582 2.253902 -0.884458
H 4.834507 2.375609 0.878122
H 5.565048 -1.424359 1.294857
H 5.513976 0.078257 2.233311
H 6.793300 -0.186727 1.049838
H -5.994647 2.342725 1.056210
H -4.499883 3.345452 1.096042
H -5.020522 2.450139 2.585072


%chk=000185499-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000185499

0 1
O 2.841851 0.857362 1.620520
O 2.936052 0.231821 -2.038833
O -4.052075 1.382975 1.295324
O -4.914271 1.454369 -0.863776
C -0.855275 -1.226814 -0.310973
C 0.589313 -0.779367 0.113282
C -1.785087 0.021288 -0.089076
C -1.330930 -2.376297 0.629607
C 1.013577 0.520179 -0.569405
C -3.300274 -0.325094 -0.243087
C 1.701018 -1.833955 -0.116957
C -1.382376 1.203409 -1.004689
C 3.340671 0.137219 0.415425
C 2.502049 0.783848 -0.722525
C -2.828363 -2.722623 0.474017
C 3.041222 -1.392989 0.525665
C -0.865887 -1.698401 -1.790017
C -3.712494 -1.480542 0.711076
C 0.114016 1.410144 -1.060807
C 4.878398 0.397379 0.248397
C -4.170126 0.904166 -0.018838
C 5.215236 1.891313 0.023718
C 5.677085 -0.131259 1.467260
C -4.861391 2.582013 1.615505
H 0.553317 -0.576607 1.208181
H -1.637041 0.344692 0.963106
H -1.146258 -2.072616 1.682508
H -0.722680 -3.283489 0.447728
H -3.498619 -0.629550 -1.289032
H 1.854601 -1.963722 -1.202776
H 1.407808 -2.814038 0.303233
H -1.872858 2.133144 -0.650236
H -1.773211 1.041912 -2.033297
H 2.671557 1.877630 -0.703875
H -3.104237 -3.517689 1.193881
H -3.021883 -3.132790 -0.536972
H 3.041798 -1.665019 1.601785
H 3.863753 -1.964999 0.057045
H -1.891076 -1.848022 -2.172740
H -0.361537 -0.966791 -2.445344
H -0.333849 -2.661510 -1.893885
H -4.779997 -1.731431 0.558116
H -3.604095 -1.134446 1.756865
H 0.474766 2.325461 -1.552359
H 5.202796 -0.185061 -0.639293
H 3.212193 0.409666 2.422927
H 3.781829 0.680207 -2.298269
H 6.309772 2.045831 0.042917
H 4.848908 2.278193 -0.946086
H 4.762381 2.505762 0.822884
H 5.452437 -1.188844 1.693372
H 5.469842 0.473809 2.371655
H 6.762354 -0.056544 1.273750
H -5.933892 2.372137 1.465174
H -4.567746 3.426760 0.969425
H -4.642174 2.795719 2.671203


