%chk=000194277.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000194277

0 1
O 1.407032 4.536876 1.334172
O 3.223192 2.104506 -2.353861
O 3.389728 4.202181 -0.580272
O -4.212155 1.581265 -1.014802
O 4.106470 -0.517243 -1.703271
O 2.052564 -1.365222 -2.024567
N -0.486278 -0.870552 -0.111259
N -2.996062 -0.251696 -1.623311
N -7.724909 -0.720721 -0.372044
N 4.583297 -3.335420 -0.728407
C -0.964713 0.512199 -0.369134
C -1.743097 0.525348 -1.715574
C 0.179685 1.514481 -0.422862
C -0.405831 -1.354096 1.222144
C 0.445803 -2.450773 1.532024
C 1.394034 -3.042528 0.525918
C 1.183130 1.385480 -1.389990
C 0.217114 2.560717 0.510476
C -1.252574 -0.833940 2.224675
C 2.822700 -2.517650 0.752649
C 0.408440 -2.994539 2.820897
C 1.275098 3.475637 0.471179
C 2.243826 2.296686 -1.406740
C -4.173225 0.372030 -1.181768
C -1.265191 -1.393352 3.500517
C -0.436605 -2.476029 3.805467
C 2.306915 3.357235 -0.480987
C -5.356726 -0.554300 -1.013051
C 3.626861 -2.518802 -0.522796
C -6.605515 0.238914 -0.591904
C 3.140121 -1.445051 -1.495742
H -1.688014 0.810458 0.445895
H -1.982870 1.583707 -1.986391
H -1.125976 0.103468 -2.539758
H 0.292969 -1.150884 -0.727778
H 1.387549 -4.150827 0.596006
H 1.057094 -2.835894 -0.514929
H -2.872047 -1.258764 -1.535609
H 1.158503 0.583876 -2.135722
H -0.567579 2.663554 1.255976
H -1.911034 0.004154 1.995909
H 3.333871 -3.138122 1.522863
H 2.800337 -1.490046 1.177135
H 1.054546 -3.839367 3.062679
H -1.928048 -0.983557 4.262064
H -0.449009 -2.913824 4.799718
H -5.552066 -1.112354 -1.951638
H -5.146794 -1.334880 -0.248508
H -6.824184 1.023322 -1.350008
H -6.398044 0.777364 0.361382
H 0.649480 4.587537 1.972596
H 3.926353 2.817638 -2.284394
H 3.323641 4.922126 0.109450
H -8.497379 -0.262840 0.101875
H -8.080783 -1.070681 -1.255925
H 5.124817 -3.301696 -1.588145
H 3.793739 0.280793 -2.257918


%chk=000194277-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000194277

0 1
O 1.810469 4.961792 0.738451
O 3.511204 1.947069 -2.586667
O 3.711863 4.273868 -1.128394
O -3.988318 1.530948 -0.046118
O 4.396214 -0.401711 -1.592788
O 2.311361 -1.356637 -1.972452
N -0.257162 -0.642221 -0.051947
N -2.929205 -0.086157 -1.325723
N -7.529651 -0.910881 0.176416
N 4.815912 -2.781333 0.111140
C -0.759368 0.718845 -0.321832
C -1.739650 0.745927 -1.540346
C 0.388110 1.707907 -0.552219
C -0.663143 -1.479718 1.004132
C 0.057979 -2.702589 1.256946
C 1.289746 -3.070402 0.440545
C 1.359625 1.442085 -1.548570
C 0.497370 2.882674 0.232781
C -1.779179 -1.161651 1.833664
C 2.543845 -2.240578 0.896845
C -0.367892 -3.541811 2.310652
C 1.582315 3.761387 0.031982
C 2.466851 2.292952 -1.687865
C -3.985644 0.360456 -0.549250
C -2.168010 -2.015727 2.886193
C -1.470479 -3.218359 3.134255
C 2.583990 3.465211 -0.917319
C -5.118117 -0.641711 -0.321989
C 3.682049 -2.167450 -0.104464
C -6.497139 0.049457 -0.258706
C 3.390371 -1.296838 -1.320294
H -1.334144 1.058853 0.555385
H -2.072027 1.786877 -1.702102
H -1.218113 0.395060 -2.448941
H 0.508549 -0.968021 -0.648025
H 1.521151 -4.142452 0.570117
H 1.121185 -2.915904 -0.640970
H -2.902901 -1.065584 -1.612212
H 1.304378 0.556924 -2.187094
H -0.258468 3.102638 0.996562
H -2.359098 -0.249980 1.660644
H 2.946885 -2.667852 1.830291
H 2.212755 -1.205629 1.116860
H 0.188547 -4.470988 2.489489
H -3.028818 -1.738911 3.506135
H -1.777313 -3.888350 3.943780
H -5.110565 -1.429481 -1.101593
H -4.953687 -1.147539 0.649694
H -6.706696 0.532488 -1.243030
H -6.431067 0.862738 0.484384
H 1.108531 5.135735 1.409939
H 4.164251 2.694412 -2.629721
H 3.681366 5.055581 -0.519700
H -8.392259 -0.477882 0.517620
H -7.718802 -1.662489 -0.494150
H 5.520551 -2.599670 -0.637372
H 4.101693 0.360526 -2.208449


