%chk=000297285.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000297285

0 1
O 0.472055 2.305726 0.783237
O 2.411245 1.142655 1.772842
O 0.517413 1.315213 -1.252386
N -5.723537 -0.237100 -0.940023
C -3.751645 1.014497 -0.085435
C -3.326024 -0.212363 0.743814
C -4.516365 0.554439 -1.349352
C -4.555000 -1.059395 1.091093
C -2.538453 1.869061 -0.496637
C -5.325682 -1.466219 -0.175646
C -1.935148 2.623971 0.693487
C -6.520498 -0.617462 -2.145750
C -0.580475 3.241186 0.368494
C 1.934772 0.455287 0.610252
C 0.917471 1.376888 -0.115390
C 3.165082 0.188697 -0.239992
C 1.240594 -0.840980 1.008830
C 3.034993 -0.165693 -1.590104
C 1.560792 -1.426639 2.241175
C 4.436598 0.270560 0.344849
C 0.320466 -1.464328 0.155372
C 4.175718 -0.438501 -2.349112
C 0.949270 -2.622737 2.625289
C 5.573576 -0.002533 -0.420374
C -0.288355 -2.660653 0.544121
C 5.444898 -0.359010 -1.766357
C 0.022557 -3.239795 1.778790
H -4.448552 1.635266 0.530737
H -2.812390 0.110778 1.668213
H -2.587557 -0.817825 0.184978
H -4.872269 1.443377 -1.912879
H -3.836812 -0.006805 -2.024454
H -5.227558 -0.485601 1.760186
H -4.254599 -1.963299 1.650827
H -1.763729 1.229739 -0.971288
H -2.835908 2.593062 -1.279911
H -4.717405 -2.172903 -0.779237
H -6.256776 -2.000920 0.111218
H -2.634615 3.413668 1.033056
H -1.820972 1.938015 1.561140
H -7.429898 -1.147624 -1.820600
H -5.991979 -1.249538 -2.873839
H -6.852317 0.299335 -2.658961
H -0.339521 4.116954 0.997619
H -0.445662 3.482678 -0.700424
H 2.046886 -0.215064 -2.054479
H 2.295046 -0.946025 2.891653
H 4.531731 0.554892 1.395792
H 0.078111 -1.023434 -0.814507
H 1.654902 1.497804 2.305434
H 4.073681 -0.711921 -3.397977
H 1.199136 -3.075984 3.583347
H 6.560307 0.063329 0.034539
H -1.004286 -3.143717 -0.119278
H 6.331404 -0.572929 -2.360676
H -0.453118 -4.172086 2.078683


%chk=000297285-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000297285

0 1
O 0.468525 2.133435 0.779844
O 2.206297 0.616350 1.901131
O 1.024591 1.581167 -1.419627
N -5.629901 -0.474469 -0.799528
C -3.848811 1.092911 0.023201
C -4.183845 0.679102 1.478680
C -4.212419 -0.066132 -0.935215
C -5.648780 0.200267 1.593499
C -2.363285 1.485930 -0.166979
C -5.939945 -0.922356 0.579143
C -1.931791 2.736459 0.631496
C -6.015971 -1.477351 -1.810337
C -0.498373 3.187308 0.326959
C 1.997561 0.282975 0.491039
C 1.144017 1.392150 -0.192475
C 3.390085 0.199910 -0.173842
C 1.228683 -1.066876 0.379071
C 3.532710 -0.272324 -1.501727
C 1.414353 -2.015749 1.415620
C 4.538066 0.606676 0.546801
C 0.389922 -1.393931 -0.715431
C 4.808825 -0.330242 -2.102049
C 0.772035 -3.271093 1.358365
C 5.815525 0.540509 -0.054670
C -0.256962 -2.650264 -0.766639
C 5.956318 0.074704 -1.381164
C -0.068095 -3.594341 0.266984
H -4.492006 1.956950 -0.248604
H -4.009140 1.519984 2.176453
H -3.500050 -0.142244 1.782575
H -4.043827 0.250501 -1.982862
H -3.518157 -0.929181 -0.733276
H -6.333303 1.046770 1.391589
H -5.857350 -0.164140 2.617952
H -1.724902 0.627087 0.123019
H -2.171001 1.669872 -1.244676
H -5.339258 -1.831875 0.854337
H -7.007896 -1.208769 0.620301
H -2.600537 3.588145 0.386686
H -2.029197 2.557760 1.718800
H -7.093574 -1.703986 -1.718276
H -5.451734 -2.441264 -1.716468
H -5.836164 -1.075449 -2.823852
H -0.215233 4.085768 0.900077
H -0.334431 3.354719 -0.752555
H 2.654275 -0.591911 -2.069534
H 2.058137 -1.751226 2.259597
H 4.415748 0.962894 1.572305
H 0.234162 -0.676391 -1.528614
H 1.400521 1.108110 2.210803
H 4.906950 -0.693639 -3.131154
H 0.927746 -3.997120 2.164497
H 6.698615 0.853987 0.513847
H -0.904923 -2.889087 -1.617673
H 6.946770 0.025568 -1.847864
H -0.567974 -4.568565 0.224420


