%chk=000189296.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000189296

0 1
O -3.702627 -1.065397 1.225292
O -5.370023 0.930367 -0.476631
C -1.817878 -0.094617 0.015424
C -3.318993 -0.254122 0.095252
C -0.969844 -1.197058 0.099557
C -1.265564 1.204561 -0.192962
C 0.450071 -1.006268 0.117547
C 0.989876 0.294618 -0.012310
C -4.131267 1.062367 0.245344
C 0.107276 1.387590 -0.193587
C -1.513701 -2.604130 0.127427
C 2.435475 0.490317 0.020293
C -2.145668 2.347954 -0.475016
C -3.472293 2.279459 -0.327195
C 1.359414 -2.122866 0.270737
C 3.284584 -0.630379 0.171598
C 2.704517 -1.948703 0.296109
C -1.557982 -3.184374 -1.286168
C 3.023604 1.779129 -0.094731
C 4.693870 -0.450422 0.202718
C 4.394880 1.937891 -0.061902
C 5.239140 0.812527 0.087748
H -3.704500 -0.842985 -0.774889
H -4.375128 1.231577 1.324722
H 0.525129 2.384809 -0.342371
H -0.896897 -3.251540 0.785638
H -2.532114 -2.640450 0.578093
H -1.660196 3.252780 -0.845609
H -4.154113 3.087966 -0.593652
H 0.927622 -3.121813 0.371700
H 3.381197 -2.794515 0.412427
H -2.211258 -2.594766 -1.941136
H -1.939243 -4.211568 -1.278570
H -0.564152 -3.198833 -1.750437
H -3.193515 -0.811754 2.024216
H 2.374971 2.649290 -0.210369
H -5.897028 0.192594 -0.098268
H 5.336236 -1.322040 0.318475
H 4.839027 2.927909 -0.150740
H 6.318394 0.955493 0.110926


%chk=000189296-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000189296

0 1
O -3.973007 -1.185231 0.976645
O -5.541934 1.030778 -0.016268
C -1.868402 -0.090595 0.016887
C -3.402317 -0.192480 0.019186
C -1.009021 -1.208865 0.116205
C -1.304352 1.218961 -0.235197
C 0.428220 -1.005470 0.139704
C 0.985873 0.314840 -0.027599
C -4.125587 1.139236 0.337618
C 0.087586 1.391896 -0.258556
C -1.546359 -2.640488 0.090136
C 2.439020 0.511101 0.009599
C -2.176444 2.363563 -0.555595
C -3.521614 2.328854 -0.355100
C 1.338008 -2.117508 0.317177
C 3.298629 -0.631797 0.192511
C 2.708822 -1.939492 0.343224
C -1.375413 -3.286465 -1.314366
C 3.054722 1.795027 -0.121111
C 4.717269 -0.459918 0.229326
C 4.447882 1.944504 -0.083018
C 5.290672 0.808820 0.091884
H -3.771396 -0.556019 -0.958984
H -4.031072 1.296380 1.442875
H 0.473182 2.394734 -0.467410
H -1.033604 -3.266432 0.844692
H -2.613600 -2.648166 0.352362
H -1.697436 3.258203 -0.971199
H -4.184904 3.166501 -0.591974
H 0.933153 -3.124822 0.442419
H 3.374693 -2.799006 0.485493
H -1.933081 -2.714581 -2.078289
H -1.767371 -4.320049 -1.311399
H -0.317105 -3.318974 -1.629113
H -3.577349 -1.006713 1.869772
H 2.437360 2.689357 -0.248168
H -5.874604 0.190348 0.396853
H 5.351907 -1.343239 0.368534
H 4.891688 2.940847 -0.185890
H 6.378581 0.932956 0.120834


