%chk=000228863.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000228863

0 1
O 5.602347 0.080331 0.663679
O -6.199896 0.373284 -0.269214
C 1.436972 -1.038109 -0.556443
C 0.047250 -1.010671 0.085738
C 2.259096 0.188296 -0.031747
C -0.691076 0.238757 -0.479353
C -2.035352 0.467451 0.279843
C 3.636369 -0.082768 -0.711346
C 2.388671 -2.223028 -0.349293
C -0.801039 -2.254524 -0.195354
C 3.786105 -1.628941 -0.653897
C 1.524910 1.446316 -0.422466
C 0.191492 1.464175 -0.537096
C -2.860476 -0.823385 0.259602
C -2.154572 -2.129316 0.513699
C 2.421353 0.213466 1.498884
C -2.816544 1.598461 -0.444224
C -1.784596 0.850720 1.746845
C 4.789909 0.641865 -0.036445
C -4.261337 1.725902 0.029422
C -4.194031 -0.815635 0.093981
C -5.001831 0.407175 -0.077903
C 4.879928 2.117725 -0.316048
H 1.301580 -0.920280 -1.663417
H 0.159298 -0.901103 1.195502
H -0.956833 0.011398 -1.549998
H 3.588706 0.244595 -1.775735
H 2.150590 -3.066818 -1.014259
H 2.338587 -2.612056 0.681270
H -0.276611 -3.164836 0.152422
H -0.949595 -2.392165 -1.283485
H 4.515333 -1.916633 0.128544
H 4.185095 -2.012425 -1.605429
H 2.135566 2.340565 -0.538501
H -0.337391 2.395498 -0.746454
H -2.015060 -2.233859 1.613063
H -2.798570 -2.986125 0.222965
H 3.039852 -0.620357 1.854104
H 2.897852 1.138696 1.839541
H 1.449234 0.141589 2.002837
H -2.809147 1.410186 -1.537101
H -2.293775 2.564045 -0.298807
H -1.213216 0.077401 2.274231
H -1.209377 1.781193 1.819117
H -2.723879 0.997104 2.291744
H -4.797073 2.503706 -0.552295
H -4.307887 2.071193 1.083017
H -4.782840 -1.735212 0.079101
H 5.362219 2.303694 -1.285019
H 3.894135 2.604384 -0.338412
H 5.492455 2.626681 0.442591


%chk=000228863-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000228863

0 1
O 5.628140 0.243984 0.665626
O -6.256330 0.300801 -0.822939
C 1.446327 -0.990842 -0.399540
C 0.030222 -1.002698 0.204018
C 2.299717 0.202275 0.145845
C -0.706459 0.275209 -0.304582
C -2.126384 0.480678 0.365659
C 3.621943 -0.043536 -0.702756
C 2.393478 -2.202948 -0.274325
C -0.809844 -2.247162 -0.143695
C 3.790625 -1.602779 -0.659517
C 1.536243 1.492168 -0.093626
C 0.183890 1.513862 -0.250439
C -2.922752 -0.827621 0.186957
C -2.214363 -2.135082 0.505127
C 2.626903 0.099686 1.666506
C -2.861702 1.653640 -0.356596
C -1.984536 0.803022 1.885006
C 4.850324 0.722487 -0.205766
C -4.380769 1.697512 -0.089953
C -4.234308 -0.843188 -0.216930
C -5.051571 0.367981 -0.428244
C 5.107711 2.094188 -0.819543
H 1.322781 -0.798511 -1.490189
H 0.116099 -0.957743 1.308996
H -0.928725 0.090335 -1.383811
H 3.403530 0.294267 -1.735610
H 2.103005 -3.034273 -0.940566
H 2.402258 -2.598143 0.758669
H -0.311384 -3.166044 0.218395
H -0.908835 -2.339879 -1.244683
H 4.567760 -1.866097 0.078458
H 4.130393 -1.973716 -1.642908
H 2.086795 2.443252 -0.061308
H -0.307675 2.485215 -0.395174
H -2.084251 -2.207629 1.606628
H -2.853320 -2.986628 0.208770
H 3.292382 -0.750028 1.894744
H 3.144092 1.014064 2.009489
H 1.703529 0.004734 2.263415
H -2.698132 1.553109 -1.448884
H -2.415275 2.617735 -0.049858
H -1.549916 -0.037853 2.453077
H -1.325918 1.679579 2.025718
H -2.967600 1.031016 2.333498
H -4.870368 2.499458 -0.670136
H -4.583598 1.913523 0.979070
H -4.757484 -1.797034 -0.365637
H 5.486922 1.964390 -1.852823
H 4.177571 2.685781 -0.897609
H 5.861758 2.643090 -0.234024


