%chk=000271386.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000271386

0 1
O -4.822580 -0.893199 2.117452
O -6.214401 -0.393476 0.085196
O 3.985376 -2.815183 0.868006
O 5.797747 -0.776490 0.022201
O 2.736592 3.124229 -0.701525
O 1.050522 2.783325 0.596162
N 0.015440 0.167027 -1.530730
N 2.064081 2.406575 0.025564
C -2.853850 0.231578 -1.386895
C -2.073814 -0.032301 -0.253939
C -2.196098 0.663937 -2.666896
C -0.597266 0.087721 -0.392120
C 0.221996 0.154530 0.878372
C -0.749426 0.148491 -2.786276
C 1.697261 -0.015774 0.646966
C -4.260161 0.128479 -1.327091
C -2.691214 -0.419507 0.956154
C -4.869549 -0.245391 -0.137881
C -4.070225 -0.525978 1.022370
C 2.543584 1.034464 0.252020
C 2.257759 -1.291324 0.836338
C 3.619144 -1.524866 0.622472
C 3.921059 0.811071 0.013834
C 4.463231 -0.447734 0.199098
C -4.108758 -1.137408 3.353368
C -7.106651 -0.118452 -1.024241
C 5.368614 -3.201900 0.643840
C 6.642296 0.222112 -0.603661
H -2.779987 0.335705 -3.548338
H -2.200546 1.776949 -2.701309
H -0.144914 -0.607121 1.601244
H 0.014931 1.146566 1.363956
H -0.736780 -0.891874 -3.187088
H -0.181526 0.774771 -3.513317
H -4.848802 0.345005 -2.213433
H -2.075733 -0.633115 1.827464
H 1.627673 -2.132547 1.130828
H 4.533828 1.653019 -0.324624
H -3.584889 -0.234537 3.679252
H -3.432586 -1.989269 3.242602
H -4.934624 -1.378715 4.036433
H -6.918362 -0.813886 -1.846637
H -7.015228 0.925084 -1.338022
H -8.086914 -0.306881 -0.565659
H 6.029596 -2.624097 1.299617
H 5.631620 -3.055974 -0.409093
H 5.348587 -4.263322 0.916756
H 7.594469 -0.316658 -0.688726
H 6.742724 1.094902 0.048383
H 6.253155 0.492037 -1.590251


%chk=000271386-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000271386

0 1
O -4.962523 -0.619081 2.201533
O -6.327354 0.125316 0.062265
O 4.458343 -2.747768 1.026485
O 5.945337 -0.418778 0.080089
O 2.417454 3.031940 -0.680761
O 0.493499 2.268835 0.260167
N -0.009556 -0.463397 -1.534463
N 1.728278 2.100702 -0.092725
C -2.856339 0.157435 -1.400128
C -2.116230 -0.241577 -0.255346
C -2.077220 0.484113 -2.663055
C -0.637200 -0.368664 -0.384398
C 0.197629 -0.414892 0.901840
C -0.842880 -0.438314 -2.769528
C 1.694357 -0.324883 0.672014
C -4.258858 0.289201 -1.314979
C -2.803420 -0.503566 0.962303
C -4.945569 0.024430 -0.108857
C -4.202966 -0.379716 1.049100
C 2.393916 0.820103 0.193620
C 2.478832 -1.471279 0.908970
C 3.876007 -1.528404 0.700051
C 3.792473 0.800453 -0.025113
C 4.550466 -0.352141 0.231205
C -4.234713 -1.014880 3.407681
C -7.118257 0.555042 -1.093726
C 5.748689 -3.177926 0.446207
C 6.625340 0.789396 -0.400989
H -2.711052 0.388825 -3.564001
H -1.731709 1.538239 -2.613750
H -0.016668 -1.368610 1.424727
H -0.145956 0.404930 1.556735
H -1.165622 -1.481373 -2.980969
H -0.191648 -0.124192 -3.603960
H -4.814474 0.606762 -2.203193
H -2.237058 -0.808309 1.845994
H 2.001023 -2.394715 1.250298
H 4.251342 1.721647 -0.390248
H -3.518830 -0.230518 3.723629
H -3.695411 -1.971576 3.259530
H -5.008854 -1.142084 4.178358
H -7.027077 -0.161802 -1.933030
H -6.818329 1.565519 -1.433248
H -8.157131 0.576366 -0.734063
H 6.584967 -2.603695 0.872275
H 5.741831 -3.062914 -0.651497
H 5.821228 -4.241764 0.719112
H 7.689722 0.517456 -0.450459
H 6.485175 1.632119 0.302474
H 6.263396 1.078588 -1.405979


