%chk=000250804.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000250804

0 1
O 3.985761 -0.459953 0.338780
O -5.679698 1.529752 -1.569513
O 5.737524 0.309210 1.375959
C 1.543627 -0.240854 0.259369
C 0.545678 -1.090013 -0.593984
C -0.796790 -1.262046 0.132853
C -1.420835 0.151564 0.324865
C -2.798079 0.056435 1.048056
C 2.859245 -0.402388 -0.592240
C 0.945049 1.169484 0.393312
C -0.443790 1.099647 1.053662
C 1.343754 -2.352060 -0.963937
C -3.756256 -0.877117 0.240090
C -1.747561 -2.174071 -0.661518
C 2.793702 -1.858241 -1.140278
C -3.123271 -2.262745 0.007070
C 1.802673 -0.826712 1.654696
C -3.466649 1.451945 1.180882
C 3.081472 0.626154 -1.704402
C -2.638405 -0.505242 2.475146
C -4.185046 -0.268262 -1.107529
C -3.840763 2.087951 -0.156337
C 3.711214 1.922203 -1.193439
C -4.684566 1.151489 -0.992280
C 5.048034 1.626186 -0.521529
C 4.964054 0.493240 0.463934
H 0.341683 -0.535696 -1.545670
H -0.621194 -1.721238 1.135732
H -1.608105 0.578722 -0.691128
H 0.859069 1.655095 -0.595985
H 1.610835 1.812402 0.999213
H -0.329397 0.779966 2.109059
H -0.876773 2.117593 1.092344
H 0.960717 -2.825203 -1.881244
H 1.279557 -3.115023 -0.168967
H -4.682541 -1.019550 0.851853
H -1.310511 -3.186987 -0.747108
H -1.854875 -1.804994 -1.699394
H 3.503120 -2.490007 -0.568952
H 3.116463 -1.916603 -2.190238
H -3.799141 -2.886085 -0.608907
H -3.035040 -2.791758 0.976343
H 2.230938 -1.835007 1.599958
H 2.533488 -0.218569 2.204239
H 0.888199 -0.882679 2.252972
H -2.798477 2.137117 1.738300
H -4.377964 1.359262 1.805931
H 2.119331 0.836499 -2.212226
H 3.734601 0.190837 -2.489545
H -2.132061 -1.478123 2.469224
H -2.040017 0.162077 3.105162
H -3.604587 -0.643563 2.970494
H -4.969896 -0.901183 -1.571776
H -3.337076 -0.286131 -1.824612
H -2.932426 2.364930 -0.729220
H -4.387037 3.039857 0.008891
H 3.035565 2.434817 -0.479482
H 3.856461 2.631696 -2.031894
H 5.442023 2.527774 -0.004472
H 5.822790 1.369398 -1.277684


%chk=000250804-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000250804

0 1
O 4.120726 -0.290171 0.370946
O -5.716294 1.686885 -1.591915
O 6.025543 0.673535 1.146225
C 1.596583 -0.291159 0.374882
C 0.595566 -1.136309 -0.479468
C -0.794522 -1.297429 0.172449
C -1.406601 0.122073 0.429651
C -2.851607 0.041401 1.055990
C 2.901026 -0.417048 -0.519036
C 0.983718 1.117508 0.577064
C -0.426665 1.032550 1.223608
C 1.394338 -2.413849 -0.842707
C -3.774281 -0.837487 0.133392
C -1.733673 -2.156852 -0.709301
C 2.868787 -1.915946 -0.984052
C -3.164795 -2.238359 -0.133108
C 1.883494 -0.938939 1.759852
C -3.514685 1.447609 1.201726
C 2.989183 0.562759 -1.715594
C -2.814042 -0.577273 2.482887
C -4.132803 -0.138980 -1.217877
C -3.807355 2.170041 -0.139831
C 3.600015 1.932839 -1.356531
C -4.655067 1.282437 -1.044733
C 5.030658 1.724046 -0.828174
C 5.108785 0.698154 0.298207
H 0.424482 -0.574705 -1.427454
H -0.666994 -1.821763 1.142313
H -1.506995 0.584020 -0.579800
H 0.882139 1.630684 -0.401059
H 1.638814 1.745308 1.213345
H -0.335643 0.676020 2.266277
H -0.837537 2.058671 1.283438
H 1.026628 -2.886067 -1.770240
H 1.306692 -3.166701 -0.037050
H -4.730951 -0.978135 0.681189
H -1.318956 -3.177977 -0.811946
H -1.758895 -1.730697 -1.734361
H 3.559135 -2.491535 -0.344267
H 3.233558 -2.008596 -2.022404
H -3.821795 -2.799702 -0.826988
H -3.145004 -2.815443 0.812179
H 2.354581 -1.931639 1.667437
H 2.583356 -0.309198 2.333720
H 0.961187 -1.057659 2.352167
H -2.894173 2.100683 1.843008
H -4.475219 1.314167 1.740548
H 1.981855 0.684764 -2.154117
H 3.617866 0.103776 -2.504315
H -2.302062 -1.553560 2.511745
H -2.298115 0.092068 3.195142
H -3.843149 -0.729701 2.860396
H -4.888255 -0.731359 -1.764368
H -3.230103 -0.084032 -1.859828
H -2.853615 2.397652 -0.658472
H -4.335130 3.125303 0.025794
H 2.991313 2.451691 -0.595879
H 3.621740 2.580877 -2.252040
H 5.484637 2.655808 -0.450739
H 5.686373 1.360145 -1.645024


