%chk=000251218.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000251218

0 1
O 0.952960 -0.607220 2.596639
O -2.921584 0.210063 0.607848
O -1.875766 -1.679962 -0.068412
C 1.738976 -0.420569 0.292782
C 0.590351 -0.799401 1.207624
C 1.994272 -1.373722 -0.841955
C 2.453094 0.689529 0.527366
C -0.634175 0.117877 1.048818
C 3.596318 1.175835 -0.306814
C 4.787118 1.611749 0.560755
C 0.865910 -1.362882 -1.870409
C -1.810929 -0.594607 0.460000
C 5.952469 2.106942 -0.291491
C -4.190457 -0.264293 0.061802
C -4.413801 0.400729 -1.260062
C -5.501904 0.197428 -1.997604
H 0.307551 -1.874681 1.095468
H 2.131359 -2.401205 -0.443865
H 2.956199 -1.122362 -1.342745
H -0.395441 1.015160 0.437190
H -0.897663 0.533693 2.056063
H 2.210492 1.324967 1.385798
H 3.249215 2.027383 -0.930656
H 3.923398 0.398269 -1.031713
H 4.471862 2.408410 1.263172
H 5.117127 0.763889 1.192895
H -0.080180 -1.729456 -1.441404
H 0.681392 -0.355005 -2.256860
H 1.101560 -2.008064 -2.723699
H 1.854073 -0.941750 2.769074
H 6.796525 2.417216 0.335344
H 6.318804 1.327956 -0.969896
H 5.667779 2.968859 -0.905830
H -4.175525 -1.370494 -0.010991
H -4.911468 0.062467 0.835960
H -3.610390 1.074410 -1.567811
H -5.666148 0.680742 -2.950875
H -6.309772 -0.463300 -1.717209


%chk=000251218-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000251218

0 1
O 1.090391 -0.083799 3.081372
O -2.943319 0.408252 0.598301
O -1.955278 -1.708887 0.658569
C 1.407232 -0.207137 0.594995
C 0.498747 -0.506281 1.796616
C 1.088521 -0.956504 -0.697595
C 2.434476 0.683569 0.714982
C -0.867135 0.220800 1.768824
C 3.441321 1.060452 -0.351529
C 4.904071 1.029716 0.166963
C 0.368289 -0.081243 -1.759573
C -1.928396 -0.491034 0.950951
C 5.921208 1.487749 -0.899831
C -4.095980 -0.152846 -0.189977
C -3.859825 0.038507 -1.667051
C -3.824853 -0.980757 -2.560459
H 0.302531 -1.600498 1.819489
H 0.454912 -1.834748 -0.472271
H 2.025151 -1.346404 -1.142627
H -0.761399 1.263831 1.429217
H -1.229595 0.258371 2.815380
H 2.553439 1.205642 1.677578
H 3.226005 2.090265 -0.712346
H 3.351347 0.400860 -1.235875
H 4.984483 1.679420 1.062088
H 5.147617 0.002370 0.503063
H -0.592184 0.309902 -1.380119
H 0.992658 0.782301 -2.051399
H 0.149721 -0.673853 -2.667117
H 2.011270 -0.448342 3.128626
H 6.956223 1.452330 -0.513359
H 5.873524 0.842271 -1.797213
H 5.715971 2.525946 -1.223261
H -4.223500 -1.218125 0.066723
H -4.954545 0.439508 0.169141
H -3.725033 1.076441 -2.002101
H -3.674796 -0.799023 -3.630599
H -3.939669 -2.024425 -2.244280


