%chk=000249506.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000249506

0 1
O -1.524342 1.536724 2.019518
O 0.391275 -0.169627 -0.458263
O 0.569917 1.934255 0.352138
O 5.166495 -0.633545 0.305727
C -1.459021 0.670965 0.879179
C -1.659349 -0.729350 1.470240
C -2.540410 1.079540 -0.135850
C -1.898397 -1.778912 0.381044
C -2.737021 -0.000074 -1.204433
C -3.032400 -1.363830 -0.565039
C -0.060428 0.904271 0.254280
C 1.704066 -0.064582 -1.095000
C 2.789864 -0.247730 -0.043513
C 4.180217 -0.306834 -0.680083
H -2.522118 -0.684639 2.169010
H -0.787947 -1.004746 2.095195
H -2.299207 2.052652 -0.602065
H -3.485764 1.243899 0.423634
H -2.128002 -2.754438 0.848554
H -0.961968 -1.926197 -0.199942
H -1.826262 -0.074242 -1.833487
H -3.560540 0.290251 -1.883215
H -3.164613 -2.128884 -1.352866
H -3.990937 -1.323526 -0.012916
H -1.171473 2.436364 1.814901
H 1.651680 -0.896081 -1.821092
H 1.771033 0.909137 -1.611655
H 2.607061 -1.173259 0.542266
H 2.735357 0.579669 0.696091
H 4.279315 -1.140214 -1.402462
H 4.455906 0.645275 -1.168014
H 5.195515 0.049409 1.005419


%chk=000249506-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000249506

0 1
O -1.678690 1.711257 1.960697
O 0.382684 -0.067847 -0.500285
O 0.609364 1.973990 0.587473
O 5.280779 -0.756120 0.193967
C -1.495470 0.732468 0.874644
C -1.741168 -0.660598 1.509101
C -2.542290 1.027173 -0.246412
C -1.974445 -1.808749 0.499716
C -2.729594 -0.126260 -1.259090
C -3.069652 -1.448064 -0.531951
C -0.068238 0.943334 0.329304
C 1.752932 0.110855 -1.083525
C 2.830925 -0.362567 -0.099122
C 4.242174 -0.254232 -0.715031
H -2.644892 -0.529795 2.135669
H -0.911151 -0.901015 2.199029
H -2.282526 1.973630 -0.759446
H -3.492589 1.206002 0.293146
H -2.262155 -2.719657 1.059661
H -1.033242 -2.037062 -0.032661
H -1.808542 -0.262723 -1.857905
H -3.538253 0.143840 -1.965334
H -3.185420 -2.269031 -1.265369
H -4.044752 -1.337897 -0.012958
H -1.015690 2.443019 1.823547
H 1.727137 -0.507707 -1.995508
H 1.885053 1.176389 -1.345200
H 2.644843 -1.413986 0.185975
H 2.777568 0.254546 0.818361
H 4.330916 -0.897685 -1.607217
H 4.451735 0.794736 -1.018822
H 5.290153 -0.198540 1.012848


