%chk=000243844.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000243844

0 1
P 0.029954 -0.088419 0.945840
O -4.246146 1.196706 1.989360
O 3.370454 2.881343 1.968736
O 1.014319 -4.536798 1.463147
C -1.563711 -0.691827 0.162768
C 0.234004 1.661658 0.303486
C 1.376348 -1.065117 0.079611
C -2.794389 -0.298520 0.707072
C 1.238166 2.481848 0.836823
C 1.630631 -2.387894 0.468260
C -1.517743 -1.581827 -0.913417
C -0.655245 2.161384 -0.651450
C 2.162789 -0.451129 -0.898643
C -2.916042 0.653282 1.875724
C 2.226993 2.008575 1.878308
C 0.825218 -3.109284 1.525317
C -3.977557 -0.831005 0.166621
C 1.320755 3.818832 0.411172
C 2.701873 -3.076737 -0.126319
C -2.702156 -2.096864 -1.450456
C -0.556721 3.490542 -1.075864
C 3.219423 -1.150009 -1.491542
C -3.933997 -1.722310 -0.905500
C 0.431982 4.320894 -0.539494
C 3.490496 -2.464708 -1.100581
C -4.514800 2.291545 1.090709
C 4.363982 2.659514 0.947893
C 0.232781 -5.191476 0.443818
H -0.569375 -1.892334 -1.359934
H -1.437979 1.535548 -1.088313
H 1.974180 0.575309 -1.224281
H -2.189315 1.485373 1.848861
H -2.819665 0.106960 2.839212
H 2.577674 0.972616 1.720075
H 1.797786 2.103471 2.899502
H -0.256924 -2.888475 1.487458
H 1.215562 -2.880709 2.540910
H -4.935665 -0.538817 0.605627
H 2.091916 4.462800 0.843246
H 2.911325 -4.101655 0.192658
H -2.664048 -2.787365 -2.290147
H -1.248310 3.876589 -1.821517
H 3.828559 -0.670971 -2.254956
H -4.858487 -2.126974 -1.314751
H 0.507542 5.358725 -0.860616
H 4.317209 -3.010155 -1.553300
H -5.558141 2.537584 1.321255
H -4.407660 1.974760 0.049539
H -3.857607 3.136982 1.315145
H 3.940873 2.820690 -0.047530
H 4.784328 1.653547 1.039419
H 5.118809 3.419611 1.181848
H 0.490941 -4.810544 -0.548205
H -0.835257 -5.069384 0.647339
H 0.532266 -6.240685 0.552059


%chk=000243844-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000243844

0 1
P 0.015523 -0.111002 1.024704
O -4.233393 1.214868 2.031637
O 3.324003 2.855193 2.097728
O 1.117793 -4.509901 1.590125
C -1.563491 -0.721999 0.158058
C 0.189994 1.646016 0.317784
C 1.366424 -1.041794 0.060409
C -2.834381 -0.394620 0.719361
C 1.153692 2.528692 0.891373
C 1.741755 -2.351719 0.484018
C -1.506279 -1.553885 -0.988825
C -0.656353 2.121127 -0.715541
C 2.051688 -0.439898 -1.024819
C -2.973760 0.466492 1.978173
C 2.073094 2.094691 2.037431
C 1.066562 -3.047429 1.669795
C -4.010199 -0.907362 0.116346
C 1.242809 3.860367 0.414890
C 2.795299 -3.020686 -0.188111
C -2.685480 -2.062322 -1.578900
C -0.559758 3.451919 -1.181456
C 3.101112 -1.116159 -1.686984
C -3.943269 -1.735849 -1.024747
C 0.395289 4.324821 -0.614536
C 3.473824 -2.412422 -1.266490
C -4.258253 2.343643 1.094964
C 4.272377 2.464749 1.048442
C 0.192604 -5.053020 0.589518
H -0.533305 -1.799477 -1.427485
H -1.391830 1.444216 -1.163412
H 1.757826 0.561751 -1.355983
H -2.115157 1.162173 2.080953
H -2.999959 -0.175321 2.877926
H 2.293284 1.008107 1.979812
H 1.585753 2.289873 3.010428
H 0.014742 -2.710502 1.781153
H 1.599508 -2.805028 2.607560
H -4.975106 -0.636621 0.559969
H 1.992227 4.518826 0.868477
H 3.065411 -4.026869 0.151960
H -2.618660 -2.700805 -2.467016
H -1.220925 3.797629 -1.984064
H 3.616314 -0.634971 -2.525950
H -4.863919 -2.123909 -1.475049
H 0.478865 5.358720 -0.968121
H 4.287047 -2.945321 -1.772189
H -5.217762 2.856605 1.265006
H -4.200978 2.004031 0.040557
H -3.419241 3.043231 1.291077
H 3.877006 2.680703 0.034901
H 4.515863 1.383831 1.114026
H 5.181019 3.061325 1.224853
H 0.455723 -4.723101 -0.436212
H -0.852566 -4.748466 0.806026
H 0.281791 -6.148441 0.658451


