%chk=000196597.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000196597

0 1
O -1.847880 -0.944847 1.413333
O 2.285039 0.760971 0.041790
O 1.700792 -0.842339 1.641313
O -1.172071 1.847708 1.429904
O -2.116873 2.306789 -1.137568
O 4.522850 0.283354 2.741985
O 6.160567 -0.409082 0.497361
O 4.491912 -1.654694 -1.076056
O -3.914433 -1.724975 1.006821
O 0.756993 -0.859720 -2.049779
O -5.819948 0.165719 0.486689
N -4.250891 0.300939 -1.151051
C -0.581041 -0.480474 0.904115
C -0.777104 0.959066 0.383748
C -1.876831 0.974267 -0.713362
C -3.173038 0.339187 -0.147817
C 3.964601 -0.274830 1.546908
C 2.533857 0.281906 1.359749
C 4.879675 0.229309 0.415337
C 4.333056 -0.236377 -0.953530
C -2.858917 -1.101914 0.361971
C 2.821240 0.054876 -1.101169
C 0.363201 -0.573530 2.107857
C 1.986831 -1.198466 -1.384964
C -5.581700 0.266482 -0.709663
C -6.623079 0.329851 -1.782794
H -0.232156 -1.159793 0.085624
H 0.179187 1.411388 0.017057
H -1.538316 0.464217 -1.646626
H -3.522477 0.948643 0.736718
H 3.958985 -1.389975 1.603131
H 5.021477 1.331855 0.472019
H 2.290976 1.168498 1.985121
H 4.914742 0.235252 -1.780527
H -2.497387 -1.819802 -0.400078
H 2.656524 0.830707 -1.892952
H 0.130983 -1.476669 2.712483
H 0.335747 0.326667 2.744902
H -3.999012 0.488804 -2.115857
H 1.730546 -1.737341 -0.449120
H 2.489591 -1.895999 -2.087398
H -1.833528 1.400086 2.019681
H -2.180940 2.909218 -0.348866
H 4.197332 -0.205994 3.530226
H 6.529884 -0.290386 1.406843
H 5.400842 -1.914068 -0.763489
H -4.511647 -1.081816 1.491416
H 0.485678 0.055378 -1.835500
H -7.630318 0.281115 -1.332933
H -6.575879 1.260480 -2.364457
H -6.549343 -0.512342 -2.485946


%chk=000196597-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000196597

0 1
O -2.120856 -0.896773 1.597723
O 2.216474 0.365483 -0.409367
O 1.595565 -1.194187 1.345837
O -0.919985 1.699519 1.146631
O -2.159463 2.049879 -1.391968
O 4.139792 0.110570 2.743323
O 6.122341 0.550524 0.869782
O 5.566594 -0.888550 -1.245546
O -4.407639 -1.423480 1.371338
O 1.639629 -2.206155 -1.387783
O -6.159492 0.419666 0.681291
N -4.531832 0.562520 -0.964004
C -0.849163 -0.766726 0.846928
C -0.860733 0.607697 0.147171
C -2.088907 0.719488 -0.782803
C -3.405919 0.394651 -0.023766
C 3.838106 -0.247439 1.350006
C 2.366314 0.013551 0.994441
C 4.716741 0.659655 0.475634
C 4.638691 0.217957 -1.014830
C -3.285297 -1.012755 0.640395
C 3.190940 -0.251701 -1.369978
C 0.244547 -0.965441 1.912616
C 3.040334 -1.799171 -1.454863
C -5.833763 0.675732 -0.531567
C -6.867406 1.115186 -1.551988
H -0.775318 -1.569154 0.080751
H 0.061333 0.784318 -0.428103
H -1.971149 0.019756 -1.632462
H -3.546510 1.113379 0.812322
H 4.091438 -1.310104 1.167520
H 4.370483 1.706182 0.579913
H 1.964984 0.880115 1.553414
H 4.924710 1.081111 -1.647239
H -3.010008 -1.794115 -0.102273
H 2.860444 0.192868 -2.321539
H 0.010786 -1.880510 2.479180
H 0.271700 -0.101704 2.603722
H -4.288089 0.926498 -1.889920
H 3.644433 -2.306530 -0.680156
H 3.419720 -2.133553 -2.432656
H -1.559380 1.406767 1.853311
H -1.904885 2.699004 -0.680745
H 3.768947 -0.578179 3.349350
H 6.147287 0.536160 1.862606
H 6.352785 -0.703614 -0.658466
H -5.112531 -0.688359 1.391097
H 1.360019 -2.040756 -0.444423
H -7.647507 0.339443 -1.634920
H -7.360118 2.034395 -1.191217
H -6.440886 1.304179 -2.551118


