%chk=000274820.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000274820

0 1
O -1.532091 2.425433 -0.102333
O 0.865040 -0.426053 0.823771
O -2.914317 -1.802841 -1.477851
O 3.347414 -1.721549 -1.240175
O 3.671347 2.897430 -1.188562
N -1.005012 -0.830278 -0.558974
N 3.374715 0.603545 -1.542120
N -3.338568 1.127485 -0.724403
C -1.068546 0.399646 -1.383340
C 0.308686 1.016914 -1.660559
C 1.147539 0.144160 -2.594919
C 2.570280 0.690511 -2.783736
C -1.969711 1.437260 -0.650214
C -0.022484 -1.146453 0.461027
C -1.973866 -1.885907 -0.725298
C -0.397133 -2.527784 0.924614
C -1.551712 -2.966816 0.217649
C 3.655265 -0.624752 -0.848193
C 3.819328 1.765893 -0.809844
C 4.398580 -0.205879 0.390715
C 4.489202 1.214134 0.416032
C 0.209511 -3.328806 1.866869
C -2.105311 -4.207336 0.449504
C 4.936039 -0.973172 1.400827
C 5.113366 1.872769 1.452904
C -0.356289 -4.604674 2.108010
C -1.483693 -5.032668 1.417682
C -4.405929 1.890814 -0.148094
C 5.580131 -0.300111 2.466730
C 5.665528 1.086926 2.492824
C -5.713973 1.382886 -0.302661
C -4.188321 3.096764 0.539142
C -6.789351 2.091505 0.232104
C -5.280577 3.788056 1.066196
C -6.579828 3.293445 0.917054
H -1.551842 0.124080 -2.365977
H 0.846041 1.198090 -0.699868
H 0.171934 2.032264 -2.090411
H 1.204890 -0.895839 -2.205074
H 0.662335 0.064659 -3.587925
H 3.092919 0.109100 -3.578577
H 2.548359 1.758813 -3.107421
H -3.622098 0.253150 -1.194219
H 1.095663 -2.997652 2.410190
H -2.990086 -4.547160 -0.090656
H 4.869572 -2.060817 1.384908
H 5.179473 2.961248 1.477798
H 0.109450 -5.255691 2.850248
H -1.904621 -6.019862 1.617161
H 6.011759 -0.888241 3.277579
H 6.162264 1.588057 3.324887
H -5.890000 0.450000 -0.832783
H -3.174532 3.492049 0.661876
H -7.800600 1.703420 0.113893
H -5.113038 4.724183 1.599212
H -7.423400 3.839853 1.330679


%chk=000274820-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000274820

0 1
O -1.388311 2.490660 -0.004899
O 0.930384 -0.590088 0.827591
O -3.029354 -1.658134 -1.503721
O 3.544767 -1.827164 -1.096584
O 3.647513 2.874199 -1.354407
N -1.003066 -0.834674 -0.580237
N 3.398761 0.511126 -1.512513
N -3.258741 1.219436 -0.675205
C -1.034832 0.437929 -1.354116
C 0.360545 0.985706 -1.707070
C 1.180427 0.005801 -2.572478
C 2.644826 0.461509 -2.774933
C -1.899443 1.499343 -0.598437
C -0.051854 -1.248513 0.417094
C -2.026405 -1.810575 -0.748958
C -0.497406 -2.615231 0.844524
C -1.676719 -2.954040 0.139392
C 3.776060 -0.637715 -0.760473
C 3.829541 1.722231 -0.888946
C 4.493149 -0.112771 0.445930
C 4.525260 1.300301 0.368542
C 0.076958 -3.493623 1.773582
C -2.326166 -4.181131 0.340061
C 5.073156 -0.798098 1.522662
C 5.133863 2.075995 1.365653
C -0.569383 -4.740470 1.983068
C -1.752007 -5.078860 1.277705
C -4.345682 1.927860 -0.086158
C 5.692843 -0.023662 2.538105
C 5.722100 1.391976 2.461402
C -5.648796 1.395397 -0.286957
C -4.178394 3.117483 0.672621
C -6.772423 2.043120 0.263588
C -5.315524 3.752850 1.217586
C -6.613269 3.227827 1.020827
H -1.572639 0.173080 -2.287424
H 0.896599 1.241711 -0.780551
H 0.205513 1.936082 -2.251365
H 1.194172 -1.003363 -2.121947
H 0.718128 -0.097728 -3.574780
H 3.159218 -0.235191 -3.461572
H 2.688216 1.479741 -3.202252
H -3.506481 0.359237 -1.186859
H 0.990376 -3.220815 2.310843
H -3.239025 -4.431360 -0.209117
H 5.043962 -1.891086 1.571538
H 5.147546 3.168056 1.295256
H -0.149669 -5.454001 2.700045
H -2.227844 -6.047967 1.461106
H 6.155135 -0.524069 3.395926
H 6.205143 1.963582 3.261193
H -5.776543 0.475361 -0.871506
H -3.176218 3.522543 0.823264
H -7.771050 1.622446 0.101600
H -5.180814 4.670136 1.801821
H -7.486401 3.731806 1.448835


