%chk=000299392.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000299392

0 1
O 0.396556 -2.475151 -0.337265
O -2.819529 0.821680 0.953585
O 2.523693 1.712352 0.561888
O -0.291792 4.404627 1.756784
O -0.226594 2.348884 2.385073
N -0.308527 3.204023 1.518861
C -3.304732 -2.588242 -0.097781
C 3.967304 -1.568544 -0.073245
C 0.007343 0.298422 0.502012
C -1.841871 -3.119262 -0.043560
C 2.717066 -2.288086 -0.661003
C -1.095558 -0.730504 0.418193
C 1.338762 -0.294930 0.103516
C -0.862784 -2.001103 0.036805
C 1.466657 -1.583566 -0.267714
C -3.470026 -1.465487 0.950229
C 3.839437 -0.051125 -0.331601
C -2.479416 -0.326636 0.785129
C 2.546533 0.567872 0.168133
C -3.607784 -2.045274 -1.502047
C -4.263406 -3.742419 0.231748
C 4.062656 -1.840015 1.434581
C 5.222721 -2.104295 -0.778596
C -0.315715 1.495794 -0.379586
C -0.452084 2.812904 0.095987
C -0.477419 1.267440 -1.760845
C -0.744729 3.867295 -0.796194
C -0.769293 2.308588 -2.637367
C -0.903725 3.617539 -2.154182
H 0.089328 0.621142 1.587206
H -1.630853 -3.765265 -0.921569
H -1.706239 -3.783654 0.838518
H 2.691502 -3.348951 -0.333517
H 2.782598 -2.331212 -1.769838
H -3.364995 -1.870707 1.977377
H -4.500649 -1.054891 0.912384
H 3.925776 0.167776 -1.415749
H 4.693837 0.486770 0.131523
H -2.920546 -1.239117 -1.785930
H -3.533479 -2.825002 -2.266729
H -4.621747 -1.631482 -1.560799
H -5.309561 -3.415834 0.184739
H -4.156893 -4.571829 -0.476073
H -4.098853 -4.144738 1.236957
H 4.172632 -2.907121 1.652798
H 4.924220 -1.329224 1.881104
H 3.173767 -1.486402 1.971901
H 6.131114 -1.630715 -0.386227
H 5.338990 -3.183843 -0.631632
H 5.204975 -1.919293 -1.857548
H -0.372598 0.251322 -2.140467
H -0.843016 4.887262 -0.403435
H -0.894069 2.108421 -3.701670
H -1.131686 4.434107 -2.837261


%chk=000299392-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000299392

0 1
O 0.407027 -2.516102 -0.349681
O -2.721473 0.781658 1.289433
O 2.478338 1.738514 0.612080
O -0.120966 4.590093 1.656531
O -0.132410 2.461628 2.421158
N -0.214841 3.315328 1.460199
C -3.352914 -2.591938 -0.124386
C 4.034501 -1.569216 -0.061082
C 0.007940 0.288515 0.547328
C -1.900729 -3.149469 -0.045034
C 2.788688 -2.281692 -0.668768
C -1.088914 -0.775736 0.484937
C 1.349891 -0.316160 0.130192
C -0.869618 -2.056857 0.051914
C 1.497485 -1.618299 -0.269915
C -3.513337 -1.509913 0.980987
C 3.881535 -0.040634 -0.301767
C -2.454995 -0.404963 0.930392
C 2.556795 0.543594 0.193256
C -3.620845 -1.974376 -1.522810
C -4.355173 -3.744849 0.124022
C 4.135993 -1.863556 1.459159
C 5.310698 -2.084538 -0.768559
C -0.346993 1.493191 -0.352238
C -0.439650 2.852711 0.056841
C -0.574619 1.224636 -1.725869
C -0.758453 3.880847 -0.862040
C -0.895085 2.237073 -2.651770
C -0.991261 3.577631 -2.215462
H 0.083183 0.667221 1.579795
H -1.673596 -3.778260 -0.927046
H -1.803081 -3.810845 0.841708
H 2.755419 -3.343079 -0.357763
H 2.864346 -2.282505 -1.776743
H -3.439580 -1.992400 1.979166
H -4.507563 -1.031031 0.929628
H 3.944849 0.168663 -1.391434
H 4.700829 0.523196 0.179289
H -2.919053 -1.153132 -1.754869
H -3.526402 -2.741894 -2.313601
H -4.645216 -1.561984 -1.571437
H -5.396235 -3.377389 0.066024
H -4.237438 -4.542178 -0.634114
H -4.210393 -4.198556 1.122753
H 4.267588 -2.946735 1.639186
H 5.005342 -1.338821 1.895706
H 3.235689 -1.531690 2.006267
H 6.211905 -1.597846 -0.352540
H 5.425470 -3.176648 -0.632315
H 5.283478 -1.876449 -1.855093
H -0.495206 0.186158 -2.069509
H -0.812590 4.907518 -0.492432
H -1.068730 1.983763 -3.703465
H -1.242331 4.378105 -2.918607


