%chk=000255498.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000255498

0 1
O -5.692290 -0.781636 -0.204766
O 0.605258 1.969500 -0.358995
O 3.039944 0.868724 -1.417789
O 0.021885 0.673044 -2.136284
O -4.131232 -0.805614 3.449208
O -5.877937 -0.687607 2.182134
N 2.206187 -0.525118 0.206640
N -4.675479 -0.777981 2.352491
C -1.557712 -1.018303 0.261410
C -2.413719 -0.942669 1.358238
C -0.112385 -1.135226 0.482886
C -3.808956 -0.861044 1.174735
C 0.824170 -0.340318 -0.073262
C -2.101155 -1.019859 -1.046768
C -4.338162 -0.862442 -0.140301
C -3.469963 -0.944935 -1.249939
C 4.613550 -0.221656 0.046904
C 3.260146 0.127609 -0.484267
C 0.458002 0.783089 -1.015210
C 5.539576 -0.825414 -0.814098
C 4.964244 0.090040 1.367200
C 0.361889 3.204470 -1.116609
C 6.818895 -1.133300 -0.342602
C 6.246874 -0.216331 1.829204
C 7.171535 -0.830227 0.976707
C -6.322170 -0.780788 -1.516040
C -1.126279 3.435972 -1.259439
H -2.020979 -0.938767 2.383627
H 0.171448 -1.941975 1.166437
H -1.422447 -1.071922 -1.909527
H -3.865613 -0.945693 -2.263033
H 2.431495 -1.192267 0.947905
H 5.263986 -1.044801 -1.847356
H 4.247663 0.580872 2.026565
H 0.883952 3.122051 -2.087095
H 0.862442 3.940156 -0.460487
H 7.542961 -1.604517 -1.006918
H 6.527780 0.027057 2.853483
H 8.171154 -1.068778 1.340821
H -6.006337 0.093957 -2.090492
H -7.383999 -0.706558 -1.236210
H -6.118995 -1.719799 -2.037351
H -1.641143 3.367052 -0.292079
H -1.582959 2.687290 -1.924384
H -1.338926 4.425460 -1.681197


%chk=000255498-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000255498

0 1
O -6.059035 -1.303712 0.165871
O 1.220472 2.042166 -0.984784
O 3.033634 -0.023905 -1.839918
O -0.304640 0.853386 -2.286354
O -3.792188 -2.990036 3.204243
O -5.780373 -1.980543 2.736199
N 1.989457 -0.296801 0.226331
N -4.547971 -2.235745 2.465149
C -1.802124 -0.925513 0.205385
C -2.520045 -1.528389 1.272187
C -0.339285 -0.892992 0.335892
C -3.924311 -1.621156 1.271453
C 0.657137 -0.144224 -0.251920
C -2.566272 -0.454046 -0.906407
C -4.686262 -1.141021 0.158417
C -3.964826 -0.565514 -0.923565
C 4.445038 -0.279520 0.127489
C 3.127084 -0.182002 -0.585219
C 0.466091 0.919150 -1.296485
C 5.572792 -0.691135 -0.628701
C 4.608328 0.051358 1.499212
C 1.234117 3.136987 -2.004757
C 6.839089 -0.795746 -0.018366
C 5.878622 -0.049921 2.107552
C 6.994533 -0.480337 1.352910
C -6.820050 -0.864026 -1.015526
C 0.084134 4.118869 -1.765548
H -1.995875 -1.934392 2.143314
H 0.026774 -1.582501 1.113988
H -2.046633 -0.030482 -1.769626
H -4.505308 -0.212353 -1.806040
H 2.114408 -0.627988 1.185061
H 5.431317 -0.917312 -1.690639
H 3.764973 0.435566 2.085905
H 1.176971 2.676804 -3.006086
H 2.219588 3.607341 -1.859818
H 7.703569 -1.120427 -0.607345
H 6.000647 0.217713 3.162691
H 7.979055 -0.559187 1.826985
H -6.709923 0.224504 -1.175624
H -7.864029 -1.103043 -0.770569
H -6.506717 -1.417192 -1.920618
H 0.114313 4.519333 -0.737481
H -0.890625 3.630848 -1.931773
H 0.170548 4.967937 -2.468967


