%chk=000211198.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000211198

0 1
O -0.811284 0.116964 0.159244
O -1.784207 -0.371512 -1.850662
C -3.133961 0.297942 0.114932
C -3.842614 1.500243 -0.533334
C -4.043975 -0.942069 0.162604
C -3.030955 2.794755 -0.389412
C -3.432999 -2.074260 0.999322
C -1.897575 -0.037269 -0.703399
C -3.749466 3.977617 -1.032460
C -4.348314 -3.294729 1.038753
C 0.527814 -0.088722 -0.182012
C 2.799424 0.074275 0.619792
C 1.400362 0.253594 0.829397
C 3.259071 -0.447987 -0.619841
C 0.962071 -0.612779 -1.431676
C 2.308180 -0.784544 -1.635110
C 3.755528 0.409959 1.632892
C 4.664556 -0.624677 -0.823336
C 5.096348 0.229094 1.407692
C 5.558424 -0.294971 0.163888
H -2.822346 0.569601 1.158627
H -4.838996 1.631121 -0.066465
H -4.040289 1.292380 -1.605153
H -5.027860 -0.656011 0.584567
H -4.253477 -1.299747 -0.866553
H -2.030308 2.670843 -0.851295
H -2.841635 3.007500 0.681477
H -3.234688 -1.720172 2.030490
H -2.444698 -2.362768 0.587144
H -4.727833 4.158992 -0.573480
H -3.913579 3.817284 -2.104788
H -3.163430 4.898511 -0.928124
H -3.905161 -4.100291 1.636307
H -4.529849 -3.697378 0.035068
H -5.323341 -3.059073 1.479880
H 1.032615 0.651758 1.771862
H 0.229732 -0.864265 -2.203738
H 2.674246 -1.183431 -2.582102
H 3.393593 0.809192 2.578749
H 5.007122 -1.025387 -1.776546
H 5.830130 0.481579 2.172099
H 6.628725 -0.426261 0.017102


%chk=000211198-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000211198

0 1
O -0.777423 0.177620 0.236826
O -1.851808 -0.321533 -1.802811
C -3.178644 0.342211 0.169415
C -3.919292 1.526314 -0.515778
C -4.075901 -0.928606 0.224578
C -3.129820 2.854705 -0.502761
C -3.437804 -2.120821 0.972820
C -1.903179 0.025862 -0.603123
C -3.914579 4.010543 -1.159032
C -4.380939 -3.340774 1.043204
C 0.584899 -0.050827 -0.140363
C 2.897905 0.033045 0.667799
C 1.496799 0.220078 0.881256
C 3.355503 -0.441591 -0.623811
C 1.015825 -0.520912 -1.424027
C 2.382713 -0.706590 -1.641361
C 3.866587 0.299959 1.693183
C 4.760854 -0.630111 -0.839058
C 5.228381 0.106491 1.453325
C 5.680578 -0.362312 0.177060
H -2.890938 0.632286 1.197028
H -4.887991 1.669996 0.004164
H -4.152269 1.241300 -1.560951
H -5.027865 -0.650942 0.720355
H -4.326943 -1.229783 -0.811918
H -2.166295 2.719580 -1.033743
H -2.875189 3.121492 0.542986
H -3.157126 -1.805260 1.998030
H -2.495912 -2.415251 0.468403
H -4.870980 4.192663 -0.632966
H -4.150932 3.778143 -2.214395
H -3.335338 4.951724 -1.142203
H -3.908764 -4.185205 1.577606
H -4.650468 -3.690712 0.029009
H -5.319837 -3.088725 1.571870
H 1.125395 0.575966 1.847700
H 0.284179 -0.723105 -2.206020
H 2.724585 -1.065605 -2.619299
H 3.521089 0.658790 2.670000
H 5.103653 -0.989058 -1.816950
H 5.960085 0.312946 2.242167
H 6.752307 -0.509090 0.004189


