%chk=000228703.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000228703

0 1
O -1.407400 1.865185 0.143378
O -4.299300 0.155748 0.071647
O -4.445657 -1.419756 -1.546033
C 4.082417 0.420826 -0.028778
C 4.305393 -0.965902 -0.672534
C 2.608283 0.760703 0.051897
C 4.724409 0.481802 1.364056
C 2.110259 1.870274 -0.658455
C 1.726789 -0.010248 0.818820
C 3.863333 -0.999251 -2.132608
C -0.099141 1.414422 0.180152
C 0.762868 2.207923 -0.602721
C 0.365109 0.305190 0.891643
C -2.861368 -0.092585 0.275133
C -2.400321 1.203354 0.958249
C -2.711908 -1.336900 1.128434
C -4.972480 -0.568321 -0.874221
H 4.594317 1.181868 -0.673209
H 3.763940 -1.742167 -0.098906
H 5.377889 -1.232698 -0.601021
H 4.523525 1.445510 1.846885
H 4.340716 -0.299539 2.028363
H 5.811301 0.361211 1.307002
H 2.787464 2.475358 -1.261823
H 2.100415 -0.873514 1.369366
H 4.001707 -1.995558 -2.566518
H 2.801130 -0.741072 -2.234561
H 4.430722 -0.290882 -2.746007
H 0.362833 3.061719 -1.144443
H -0.303470 -0.313226 1.485256
H -2.391239 -0.209950 -0.730098
H -3.213432 1.962911 0.964513
H -2.027071 1.058258 1.983924
H -3.029673 -2.232509 0.572106
H -1.663874 -1.493581 1.425010
H -3.321671 -1.289561 2.038766
H -6.006314 -0.215943 -0.868665


%chk=000228703-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000228703

0 1
O -1.480620 1.820070 0.506233
O -3.889989 0.259653 -0.400865
O -3.462819 -1.557473 -1.823571
C 4.112330 0.482201 -0.215103
C 4.345770 -0.925694 -0.838739
C 2.627253 0.795523 -0.013878
C 4.902796 0.628483 1.113144
C 2.021270 1.910857 -0.650070
C 1.808684 -0.005147 0.820213
C 3.737389 -1.091642 -2.247289
C -0.137782 1.405116 0.375268
C 0.659759 2.219083 -0.463301
C 0.439213 0.282347 1.019743
C -2.892744 -0.244372 0.609107
C -2.386085 1.013243 1.328720
C -3.595082 -1.229751 1.553327
C -4.050503 -0.490560 -1.554648
H 4.515962 1.228094 -0.931517
H 3.929039 -1.697077 -0.159302
H 5.438520 -1.108727 -0.882562
H 4.769033 1.634541 1.549706
H 4.559764 -0.110822 1.861339
H 5.983705 0.462666 0.946135
H 2.627753 2.549835 -1.303641
H 2.238569 -0.876898 1.328709
H 3.939039 -2.100228 -2.652437
H 2.642547 -0.944693 -2.229183
H 4.164165 -0.353081 -2.952477
H 0.195408 3.080647 -0.952851
H -0.149741 -0.368872 1.673369
H -2.083298 -0.746796 0.049704
H -3.237693 1.681472 1.536831
H -1.907527 0.735363 2.288785
H -4.001476 -2.081689 0.983635
H -2.878914 -1.628347 2.295238
H -4.422441 -0.738247 2.095227
H -4.790752 0.020019 -2.199001


