%chk=000254460.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000254460

0 1
O 0.658511 0.684338 0.002510
O 3.192514 -0.333362 2.331635
O 3.203339 -0.342460 -2.309793
O -6.877057 0.407359 -0.014758
O -6.115193 2.528703 -0.018982
N 2.960934 -0.642440 0.010966
N -0.738151 -1.143938 0.003001
C 1.752158 -1.504146 0.009788
C 1.709052 -2.433967 1.246274
C 1.715064 -2.439024 -1.223080
C 1.108152 -3.769252 0.783043
C 1.111639 -3.772287 -0.757338
C 0.528709 -0.521112 0.004754
C 3.512090 -0.037713 1.211296
C 3.517726 -0.042367 -1.189182
C 4.539354 0.939104 0.722068
C 4.542671 0.936346 -0.698949
C 5.384702 1.759670 1.438160
C 5.391369 1.754151 -1.414244
C -2.001060 -0.482611 -0.001499
C 6.257575 2.600507 0.707554
C 6.260823 2.597817 -0.682826
C -2.125604 0.919547 -0.005459
C -3.155017 -1.302204 -0.001947
C -3.391945 1.494988 -0.009868
C -4.414604 -0.712930 -0.006366
C -4.542704 0.686039 -0.010362
C -5.862930 1.342466 -0.015121
C -8.250383 0.932478 -0.019259
C -9.113693 -0.310687 -0.017729
H 1.153047 -1.982001 2.087190
H 2.731782 -2.593443 1.645962
H 2.739765 -2.600309 -1.616955
H 1.163327 -1.990433 -2.068592
H 1.698465 -4.615252 1.179386
H 0.088712 -3.908730 1.182205
H 1.703431 -4.620037 -1.147697
H 0.093965 -3.913026 -1.160555
H -0.772668 -2.168820 0.005229
H 5.381629 1.767208 2.529008
H 5.393400 1.757473 -2.505116
H 6.933436 3.260980 1.253573
H 6.939232 3.256180 -1.228233
H -1.232246 1.555984 -0.005041
H -3.068961 -2.385459 0.001134
H -3.502183 2.584879 -0.013002
H -5.315758 -1.334076 -0.006758
H -8.368195 1.552950 -0.924394
H -8.372198 1.557954 0.881894
H -8.917862 -0.933207 0.866027
H -8.913800 -0.938192 -0.897039
H -10.179359 -0.052737 -0.020914


%chk=000254460-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000254460

0 1
O 0.684501 0.289496 -1.466295
O 2.010344 0.175540 1.907482
O 4.359035 -0.814091 -2.072829
O -6.825555 0.422291 0.370320
O -6.222405 2.062851 -1.173989
N 2.956906 -0.638906 -0.121202
N -0.596068 -1.078170 -0.056844
C 1.845053 -1.586842 -0.385433
C 1.699719 -2.634251 0.766789
C 2.065804 -2.507805 -1.628898
C 1.018613 -3.890905 0.131082
C 1.044401 -3.650764 -1.414124
C 0.586662 -0.689085 -0.671912
C 2.904339 0.219404 1.024286
C 4.053361 -0.285365 -0.978538
C 4.080942 1.131062 0.921848
C 4.765532 0.832704 -0.277562
C 4.518449 2.146914 1.785216
C 5.915441 1.539284 -0.659627
C -1.890131 -0.506757 -0.182716
C 5.681075 2.868086 1.409664
C 6.368853 2.568883 0.205501
C -2.174979 0.600599 -1.029085
C -2.935603 -1.093962 0.585081
C -3.489460 1.095496 -1.093682
C -4.243200 -0.589335 0.513550
C -4.534610 0.514327 -0.330738
C -5.900726 1.090557 -0.443881
C -8.224245 0.941390 0.318456
C -9.047135 0.089059 1.279155
H 1.191228 -2.229728 1.658325
H 2.723533 -2.890183 1.093689
H 3.096366 -2.900989 -1.604378
H 1.942704 -1.967233 -2.579571
H 1.580091 -4.801878 0.401914
H -0.014719 -4.045060 0.495935
H 1.333838 -4.556890 -1.973103
H 0.044875 -3.349904 -1.777597
H -0.522173 -1.845957 0.613676
H 3.975700 2.371878 2.708482
H 6.433477 1.302486 -1.594106
H 6.053294 3.670664 2.055253
H 7.261360 3.145493 -0.060208
H -1.369923 1.052975 -1.609458
H -2.717187 -1.945764 1.241929
H -3.727670 1.947690 -1.738661
H -5.046500 -1.037403 1.104120
H -8.583009 0.871764 -0.724606
H -8.210299 2.009077 0.603516
H -8.657150 0.166935 2.308533
H -9.030412 -0.972606 0.978465
H -10.097334 0.433826 1.278377


