%chk=000244319.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000244319

0 1
O 0.818154 -0.153846 -1.509072
O -0.844902 0.068167 1.442455
O -1.769603 1.060581 -2.512097
O 1.728842 1.451710 2.241944
O -3.675317 0.404123 -0.142748
O 3.643984 0.455423 0.002382
O -3.447796 -1.757513 0.498871
O 3.440209 -1.781995 -0.295207
N -0.509246 -2.052689 -1.564364
N 0.503070 -1.784485 1.790442
C 0.006405 -3.741493 0.255976
C 0.461008 -3.026881 -1.025017
C -0.456389 -2.841159 1.410780
C -1.939366 -2.411124 -1.782130
C 1.936663 -2.089332 2.060529
C -2.698183 -1.062352 -1.710263
C 2.680965 -0.759990 1.779484
C -0.259617 -0.685670 -1.652664
C 0.238487 -0.423143 1.665955
C -1.616549 -0.011437 -2.019548
C 1.587769 0.314510 1.922368
C -3.297147 -0.881685 -0.326586
C 3.279337 -0.790142 0.384125
C -4.033074 0.811027 1.237292
C 3.998736 0.646563 -1.424429
C -4.763273 2.118344 1.041294
C 4.712283 1.977510 -1.434900
H -0.824252 -4.441344 0.023699
H 0.843794 -4.388439 0.593505
H 0.669072 -3.786301 -1.814969
H 1.430073 -2.483863 -0.848356
H -0.656495 -3.470573 2.309550
H -1.431235 -2.342771 1.152964
H -2.057778 -2.885484 -2.779476
H -2.307928 -3.132335 -1.017488
H 2.313783 -2.916541 1.416960
H 2.059156 -2.401731 3.119366
H -3.518137 -0.999117 -2.465983
H 3.499395 -0.571272 2.515665
H -3.064080 0.912847 1.766531
H -4.645622 0.014841 1.691464
H 3.029403 0.652530 -1.962764
H 4.621834 -0.202992 -1.749014
H -4.178030 2.805353 0.409095
H -5.731313 1.979450 0.543554
H -4.939961 2.620850 2.000277
H 4.119520 2.746073 -0.913192
H 5.683280 1.929073 -0.926078
H 4.879870 2.328921 -2.460482


%chk=000244319-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000244319

0 1
O 0.944843 -0.313233 -1.449773
O -0.980718 -0.116686 1.368170
O -1.564999 1.097200 -2.410248
O 1.491832 1.478143 2.112936
O -3.698042 0.455857 -0.205666
O 3.662199 0.519468 0.062370
O -3.535449 -1.770569 0.457162
O 3.508505 -1.784277 -0.242916
N -0.562876 -2.143080 -1.441003
N 0.555391 -1.895400 1.681890
C 0.018643 -3.924485 0.262684
C 0.395465 -3.183533 -1.047518
C -0.379024 -3.003002 1.446075
C -1.971848 -2.440051 -1.806466
C 1.964407 -2.101734 2.106033
C -2.665527 -1.059257 -1.753725
C 2.635163 -0.736703 1.828907
C -0.205037 -0.812711 -1.598749
C 0.173987 -0.563906 1.613772
C -1.500921 -0.065313 -1.976209
C 1.451971 0.258963 1.876648
C -3.338830 -0.853211 -0.375281
C 3.309858 -0.748526 0.435955
C -4.169799 0.852269 1.166720
C 4.129444 0.699030 -1.356738
C -4.331976 2.366638 1.143626
C 4.303530 2.197931 -1.564407
H -0.830979 -4.614753 0.094483
H 0.883687 -4.561578 0.531349
H 0.487801 -3.930192 -1.862297
H 1.374800 -2.683949 -0.943036
H -0.460978 -3.620035 2.363688
H -1.367269 -2.544637 1.264267
H -2.022669 -2.881962 -2.820443
H -2.425694 -3.135651 -1.081705
H 2.437943 -2.900391 1.511918
H 2.009929 -2.366874 3.180040
H -3.432478 -0.911385 -2.533142
H 3.394431 -0.446479 2.574891
H -3.395761 0.515957 1.877142
H -5.115577 0.318327 1.370129
H 3.348212 0.264937 -2.003400
H 5.069926 0.132553 -1.480737
H -3.371286 2.852709 0.906570
H -5.079517 2.678425 0.394215
H -4.665868 2.717757 2.137306
H 3.348018 2.723129 -1.401347
H 5.056995 2.613508 -0.873511
H 4.635939 2.390961 -2.600926


