%chk=000257829.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000257829

0 1
O 3.930215 -1.426678 -1.377660
O 2.235324 2.369276 0.642288
N 2.848313 -0.526328 0.452143
N 0.308144 3.612536 0.356154
C -3.401444 -1.797110 0.646310
C -2.929811 -3.124322 0.037629
C -4.257239 -0.967297 -0.319418
C -1.835863 -3.800521 0.884526
C -3.443875 -0.344055 -1.466833
C -0.544918 -3.031528 0.815348
C -2.452897 0.679400 -0.983718
C -0.221192 -2.096796 1.811632
C -1.091895 0.355161 -0.873919
C 0.326878 -3.201837 -0.270904
C -2.875377 1.973605 -0.640080
C 0.914448 -1.298912 1.695689
C -0.162465 1.302203 -0.443675
C 1.473824 -2.419565 -0.398197
C -1.961611 2.929054 -0.195931
C 1.753552 -1.438529 0.569314
C -0.596925 2.590211 -0.097009
C 3.837195 -0.536334 -0.553948
C 1.658195 3.443327 0.697207
C 4.767062 0.643484 -0.486469
C 2.340743 4.710238 1.138456
H -2.522900 -1.194691 0.960328
H -3.974662 -1.994661 1.571650
H -2.544183 -2.951051 -0.987245
H -3.787831 -3.813536 -0.072921
H -4.766329 -0.163658 0.248444
H -5.063104 -1.595051 -0.746172
H -2.177604 -3.902220 1.933508
H -1.682623 -4.839030 0.527344
H -4.136232 0.118961 -2.199286
H -2.922567 -1.149117 -2.026746
H -0.869082 -1.981005 2.679389
H -0.746567 -0.653601 -1.117270
H 0.104881 -3.947614 -1.033288
H -3.929360 2.237164 -0.717330
H 1.140453 -0.564913 2.465578
H 0.895963 1.035821 -0.376793
H 2.150106 -2.563016 -1.247945
H -2.311576 3.922698 0.069985
H 2.802765 0.296573 1.072744
H -0.102720 4.544149 0.447193
H 5.505291 0.528544 0.318057
H 4.232766 1.594043 -0.317527
H 5.325367 0.737874 -1.429922
H 1.877528 5.152667 2.030348
H 2.358972 5.474987 0.350186
H 3.391463 4.498800 1.399455


%chk=000257829-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000257829

0 1
O 4.250336 -1.681448 -1.299075
O 2.199471 2.285542 0.851761
N 2.917434 -0.475642 0.219118
N 0.265825 3.558586 0.455825
C -3.457014 -1.768343 0.645777
C -2.926756 -3.112709 0.092609
C -4.356722 -0.978873 -0.337489
C -1.806540 -3.746928 0.978659
C -3.589230 -0.315988 -1.524315
C -0.490688 -2.990270 0.866656
C -2.563417 0.714557 -1.071446
C -0.173097 -1.913876 1.734774
C -1.173939 0.441541 -1.118095
C 0.427444 -3.283767 -0.175192
C -2.970299 1.969188 -0.543379
C 0.972511 -1.122302 1.527264
C -0.215024 1.358720 -0.639042
C 1.588415 -2.511809 -0.393928
C -2.028876 2.893232 -0.049694
C 1.847315 -1.390230 0.440288
C -0.642496 2.585922 -0.078925
C 4.021984 -0.636932 -0.613581
C 1.573778 3.391609 0.885440
C 4.974808 0.558596 -0.629365
C 2.245105 4.656014 1.415308
H -2.603614 -1.128053 0.938827
H -4.028662 -1.972151 1.574575
H -2.523548 -2.974607 -0.930410
H -3.770221 -3.827999 0.006309
H -4.890177 -0.183057 0.220594
H -5.137133 -1.649461 -0.752532
H -2.155167 -3.767552 2.030482
H -1.662558 -4.799092 0.665507
H -4.335399 0.160796 -2.190741
H -3.087478 -1.100022 -2.121544
H -0.836955 -1.685297 2.577400
H -0.823575 -0.516105 -1.520377
H 0.226224 -4.133759 -0.840263
H -4.037269 2.221502 -0.508842
H 1.182331 -0.275061 2.190670
H 0.846234 1.115645 -0.684399
H 2.291419 -2.751966 -1.193876
H -2.370757 3.848447 0.370798
H 2.800060 0.450184 0.655640
H -0.130557 4.491609 0.589855
H 5.913490 0.276529 -0.118872
H 4.555878 1.453964 -0.139759
H 5.230837 0.796036 -1.675606
H 1.576030 5.532569 1.460500
H 3.106702 4.904680 0.771139
H 2.640135 4.455632 2.425675


