%chk=000297842.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000297842

0 1
O -0.163744 0.387545 -1.332836
O -1.693325 -0.277767 -2.864823
O -1.344386 4.314079 -1.299135
O 2.677756 2.208700 1.306083
O 0.533989 1.566766 1.849217
N -1.534023 2.280448 -0.267362
N 1.014842 3.678772 0.969729
C -2.195126 1.641887 -1.419849
C -3.601840 1.131161 -1.042731
C -3.596243 0.148912 0.097161
C -1.371285 0.470741 -1.973725
C -3.848807 0.586104 1.405739
C -3.341646 -1.209580 -0.145530
C -1.111483 3.600881 -0.338459
C -0.386262 4.121824 0.915452
C 0.690245 -0.763329 -1.628894
C -3.848370 -0.330295 2.461350
C -3.338313 -2.119773 0.913825
C -3.593550 -1.683260 2.218350
C 0.410749 -1.847976 -0.627721
C 0.213413 -1.521443 0.722019
C 0.370188 -3.187867 -1.037743
C 1.310570 2.388933 1.398081
C 3.194232 0.898249 1.709537
C -0.020940 -2.533097 1.656014
C 0.143030 -4.196508 -0.096719
C 3.619618 0.147220 0.480596
C -0.052472 -3.871364 1.249302
C 4.111170 0.836805 -0.636899
C 3.553390 -1.253428 0.466134
C 4.533735 0.127607 -1.764062
C 3.985520 -1.957896 -0.661230
C 4.475034 -1.269917 -1.776269
H -2.292315 2.402987 -2.256630
H -4.066610 0.669065 -1.943580
H -4.242470 2.006046 -0.799672
H -1.246499 1.656735 0.501702
H -4.044905 1.637977 1.601802
H -3.137802 -1.555778 -1.160544
H -0.410901 5.239438 0.894067
H -0.926391 3.806972 1.842389
H 1.703671 -0.327410 -1.502335
H 0.531080 -1.077030 -2.677222
H -4.045238 0.012561 3.475605
H -3.127482 -3.171386 0.721999
H -3.592211 -2.394633 3.040931
H 1.704424 4.219162 0.450477
H 0.230683 -0.471358 1.035757
H 0.507750 -3.446211 -2.086243
H 4.058429 1.179727 2.344389
H 2.433156 0.362086 2.310933
H -0.186886 -2.275298 2.700944
H 0.113114 -5.236870 -0.415216
H -0.232277 -4.658262 1.978764
H 4.154925 1.926418 -0.619625
H 3.156472 -1.797181 1.323280
H 4.913821 0.664697 -2.631995
H 3.934397 -3.046201 -0.670333
H 4.811998 -1.821685 -2.652245


%chk=000297842-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000297842

0 1
O -0.054839 -0.097439 -1.310867
O -1.688976 -0.542394 -2.917822
O -2.028127 4.161708 -0.612660
O 2.931134 2.569183 1.446760
O 0.962269 1.280568 1.691657
N -1.211520 1.997098 -0.316479
N 0.905198 3.575095 1.223101
C -1.892626 1.461232 -1.499540
C -3.430747 1.232972 -1.272494
C -3.749970 0.363802 -0.066870
C -1.229484 0.173228 -1.999476
C -4.059081 0.958954 1.183890
C -3.723345 -1.053329 -0.155032
C -1.328288 3.318340 0.034013
C -0.556921 3.712204 1.316591
C 0.641301 -1.399185 -1.592411
C -4.328258 0.162226 2.320055
C -3.983961 -1.852395 0.980421
C -4.287024 -1.247824 2.222477
C 0.256663 -2.425000 -0.546692
C 0.386531 -2.118008 0.833828
C -0.223256 -3.698876 -0.935614
C 1.540030 2.382311 1.463725
C 3.758005 1.344027 1.649033
C 0.041295 -3.080634 1.806439
C -0.556550 -4.666649 0.040695
C 4.100770 0.653640 0.342044
C -0.424240 -4.358879 1.413914
C 4.524090 1.403796 -0.784588
C 4.055373 -0.759143 0.254559
C 4.898927 0.749564 -1.978295
C 4.444975 -1.416646 -0.935651
C 4.867287 -0.663628 -2.055356
H -1.811977 2.211059 -2.313194
H -3.824805 0.784644 -2.202268
H -3.876578 2.236180 -1.156612
H -0.622222 1.368253 0.246769
H -4.100803 2.052948 1.259940
H -3.498071 -1.530251 -1.116235
H -0.801793 4.764491 1.528240
H -0.912170 3.084404 2.154842
H 1.707002 -1.124188 -1.536966
H 0.378309 -1.726790 -2.612703
H -4.572356 0.638977 3.276558
H -3.948191 -2.944505 0.895424
H -4.493183 -1.868089 3.102255
H 1.477788 4.382390 0.975687
H 0.726244 -1.120779 1.138919
H -0.344405 -3.931295 -2.000591
H 4.659855 1.742555 2.144832
H 3.226494 0.661682 2.334453
H 0.128564 -2.832703 2.870252
H -0.924773 -5.651178 -0.269339
H -0.687605 -5.105282 2.172093
H 4.547098 2.497663 -0.724118
H 3.712441 -1.348618 1.113565
H 5.219431 1.337828 -2.845386
H 4.410408 -2.510521 -0.988497
H 5.166263 -1.171096 -2.979271


