%chk=000182341.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000182341

0 1
O -1.952767 -2.666540 -0.369725
O -0.233882 -2.139242 1.882692
O -1.349894 2.375681 1.604158
O 4.128284 -1.170022 -0.210826
O 4.872268 0.873120 0.741412
C -1.036922 -0.700676 -1.507914
C -2.293241 -0.218498 -0.761882
C -1.453548 -1.361377 -0.168861
C -1.624155 1.137855 -0.440782
C -0.371446 0.684743 -1.312834
C -0.890931 -1.477764 -2.761845
C -0.780425 -1.125123 1.147241
C -1.275103 1.297199 1.054249
C -2.356449 2.358335 -0.991070
C 1.002827 0.762222 -0.726451
C -0.769039 0.095379 1.727000
C -3.808854 2.379681 -0.597442
C -3.096215 -2.988356 0.464763
C 1.851215 -0.374842 -0.795707
C 1.446105 1.963893 -0.166979
C 3.114393 -0.221850 -0.274107
C 0.333365 -3.273258 1.169390
C 2.746053 2.113220 0.366677
C -4.239025 2.828893 0.579276
C 3.559852 1.004957 0.299681
C 5.262616 -0.505213 0.440413
H -3.334959 -0.306160 -1.005851
H -0.361957 1.232316 -2.284666
H 0.164560 -1.673033 -2.998154
H -1.329517 -0.949969 -3.620273
H -1.396068 -2.456144 -2.686900
H -2.267952 2.396679 -2.094837
H -1.850959 3.278530 -0.613771
H -0.332291 0.251835 2.715029
H -4.493281 2.002968 -1.356938
H -2.808277 -2.964498 1.521205
H -3.921809 -2.300774 0.263172
H -3.339826 -4.006072 0.139529
H 1.518265 -1.310174 -1.234677
H 0.769902 2.820671 -0.116577
H 1.183912 -2.931398 0.572163
H -0.422782 -3.769291 0.549762
H 0.660261 -3.911254 1.999153
H 3.073898 3.050412 0.808410
H -5.278806 2.855413 0.866085
H -3.568584 3.199281 1.350425
H 6.090283 -0.472316 -0.279844
H 5.451404 -1.019139 1.392024


%chk=000182341-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000182341

0 1
O -2.020810 -2.724745 -0.452460
O -0.333123 -2.312821 1.858314
O -1.317390 2.345860 1.721279
O 4.214714 -1.172478 -0.178068
O 5.043526 0.962378 0.537399
C -1.032930 -0.715637 -1.530498
C -2.316782 -0.267166 -0.774567
C -1.476851 -1.409654 -0.194464
C -1.685552 1.090083 -0.357485
C -0.388058 0.666505 -1.253747
C -0.868433 -1.496618 -2.813839
C -0.847155 -1.220586 1.159510
C -1.335727 1.212878 1.139900
C -2.427681 2.341165 -0.881469
C 1.035443 0.781381 -0.742123
C -0.876185 -0.006571 1.805091
C -3.881324 2.410198 -0.444860
C -3.149943 -3.075354 0.433732
C 1.885964 -0.362466 -0.724715
C 1.536572 2.039467 -0.317104
C 3.190432 -0.189725 -0.262910
C 0.427654 -3.350795 1.118133
C 2.869900 2.202854 0.143842
C -4.358792 3.222035 0.530743
C 3.676323 1.062744 0.162349
C 5.330665 -0.494897 0.537600
H -3.364618 -0.434161 -1.033924
H -0.481623 1.265760 -2.180844
H 0.188840 -1.773208 -2.985383
H -1.196413 -0.892285 -3.680355
H -1.465200 -2.423058 -2.785858
H -2.383467 2.341142 -1.989871
H -1.890668 3.234899 -0.515080
H -0.450559 0.088318 2.808526
H -4.582094 1.746819 -0.977119
H -2.815490 -3.153703 1.484942
H -3.959957 -2.324903 0.357839
H -3.509895 -4.052786 0.077676
H 1.530096 -1.340462 -1.057050
H 0.872486 2.910491 -0.322782
H 1.418145 -2.946333 0.842515
H -0.127300 -3.686929 0.226870
H 0.548569 -4.175544 1.835967
H 3.246873 3.173643 0.474587
H -5.421068 3.231527 0.802129
H -3.687952 3.877411 1.098015
H 6.268825 -0.676433 -0.008377
H 5.358513 -0.857939 1.582992


