%chk=000269042.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000269042

0 1
O -7.397048 0.321179 -1.582122
O -8.569439 -0.680874 0.222243
O 7.282328 -2.290528 0.277855
N 7.367251 -0.003762 -0.034980
N -2.348519 0.539663 -0.141977
C 2.425874 -1.190453 0.132290
C 3.658838 -0.323142 0.020183
C 1.296712 -0.192431 0.017171
C 3.284145 1.046649 -0.149643
C 1.820722 1.128430 -0.152886
C 4.985049 -0.707577 0.063689
C -0.065560 -0.419348 0.060517
C 4.259471 2.025437 -0.277048
C 0.964798 2.212474 -0.290683
C 5.968682 0.299118 -0.066719
C -0.929089 0.695645 -0.080440
C 5.609769 1.651326 -0.235472
C -0.420160 1.992242 -0.259068
C -4.474454 -0.285733 0.625223
C -3.005074 -0.137098 0.745977
C -6.507621 -0.020634 -0.569537
C -7.215366 -0.622768 0.514129
C -5.145410 0.162028 -0.545559
C 7.945328 -1.284491 0.134885
C -5.173424 -0.875662 1.685248
C -6.573424 -1.058167 1.652641
C -8.722430 -0.084649 -1.110377
C 9.449337 -1.270444 0.120642
H 2.397508 -1.743836 1.090484
H 2.386768 -1.952743 -0.670491
H 5.270590 -1.755993 0.194266
H -0.468974 -1.420737 0.176253
H 3.987282 3.071141 -0.407999
H 1.354988 3.219014 -0.425477
H 6.371819 2.419249 -0.335539
H -1.108557 2.828869 -0.378658
H 7.991768 0.797623 -0.147889
H -2.563359 -0.628724 1.630898
H -4.596032 0.625350 -1.367399
H -4.636144 -1.209016 2.573850
H -7.107734 -1.515664 2.480076
H -9.098084 -0.864651 -1.785515
H -9.335926 0.819697 -1.004740
H 9.859414 -0.905929 -0.830380
H 9.830762 -2.297299 0.258093
H 9.874226 -0.664382 0.931488


%chk=000269042-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000269042

0 1
O -7.601660 0.765346 -1.243782
O -8.649236 -0.763046 0.285879
O 7.417467 -2.330927 0.569117
N 7.413955 -0.046891 0.016002
N -2.384106 0.637752 -0.179670
C 2.414783 -1.170964 0.272170
C 3.670108 -0.328301 0.074709
C 1.288564 -0.167798 0.043068
C 3.305037 1.014758 -0.248983
C 1.838397 1.115648 -0.270211
C 5.011044 -0.726106 0.174760
C -0.096994 -0.364912 0.092611
C 4.313157 1.977626 -0.480533
C 0.980215 2.203695 -0.554872
C 6.021784 0.249662 -0.059060
C -0.970049 0.736442 -0.176732
C 5.663619 1.590218 -0.384570
C -0.413084 2.003580 -0.520865
C -4.482887 -0.364184 0.543016
C -3.024799 -0.197869 0.604461
C -6.629511 0.161307 -0.406052
C -7.253138 -0.738576 0.493413
C -5.257140 0.373065 -0.411768
C 8.042149 -1.260310 0.311529
C -5.117493 -1.265669 1.442936
C -6.521269 -1.469715 1.432892
C -8.907674 0.199183 -0.823869
C 9.569979 -1.179295 0.296632
H 2.375564 -1.619597 1.283913
H 2.369689 -2.012427 -0.446767
H 5.301516 -1.748696 0.422547
H -0.514074 -1.357756 0.299504
H 4.059610 3.013476 -0.730536
H 1.385769 3.188917 -0.810510
H 6.453931 2.331603 -0.562366
H -1.108972 2.816673 -0.750188
H 8.035694 0.743277 -0.173424
H -2.505016 -0.807375 1.374438
H -4.756961 1.061642 -1.096416
H -4.504177 -1.816836 2.165176
H -7.010590 -2.161343 2.122602
H -9.355410 -0.347761 -1.671091
H -9.551207 1.012153 -0.446231
H 9.948270 -0.876983 -0.697708
H 9.974028 -2.172125 0.540333
H 9.942723 -0.452164 1.041997


