16
E = -587.26844617 Hartree, idx = 0; coordinates in Angstrom.
    C      0.04106534     -2.18782379      0.01873379
    C     -1.35798345     -2.26546988      0.01269198
    C     -2.17792255     -1.12924287     -0.02333896
    C     -1.53026482      0.10833393     -0.03797859
    C     -0.12071906      0.20403755     -0.02314596
    C      0.67915283     -0.93908160     -0.00278636
    C      0.47143440     -3.57161137      0.04441853
    H     -3.26722478     -1.21160460     -0.04107296
    H     -2.12778938      1.02510522     -0.06470926
    H      0.34489770      1.19455049     -0.03304010
    H      1.77014421     -0.92296985     -0.00764617
    O     -1.74251880     -3.55390987      0.03659370
    N     -0.56119829     -4.37040148      0.05822977
    C      1.96372187     -4.05774618      0.02851820
    O      2.15749685     -5.25776354      0.25204089
    O      2.75531543     -3.11946977     -0.21744012
16
E = -587.26736631 Hartree, idx = 1; coordinates in Angstrom.
    C      0.00597615     -2.20755801      0.01017546
    C     -1.39494046     -2.28692766      0.01021011
    C     -2.20029423     -1.13205627     -0.00058236
    C     -1.53922949      0.10147065     -0.00827602
    C     -0.13062315      0.18590618     -0.00705706
    C      0.65225165     -0.96729064     -0.00181668
    C      0.46857661     -3.58291105      0.01317373
    H     -3.29276783     -1.17832115     -0.00565460
    H     -2.12750858      1.02592395     -0.01874777
    H      0.35280932      1.16726356     -0.01651562
    H      1.74201263     -0.97906294     -0.01482816
    O     -1.77014922     -3.57801867      0.01329726
    N     -0.55048966     -4.39675214      0.01615575
    C      2.02886116     -4.00801773      0.00664813
    O      2.28918643     -5.18788472      0.25101503
    O      2.76393618     -3.03083096     -0.24712882
16
E = -587.25643995 Hartree, idx = 2; coordinates in Angstrom.
    C     -0.04421400     -2.22073717      0.01285001
    C     -1.46194610     -2.29687714      0.00995591
    C     -2.22183670     -1.10209593     -0.00001863
    C     -1.54235095      0.12110026     -0.00705391
    C     -0.13604980      0.18573012     -0.00617602
    C      0.61690670     -0.99084404      0.00173679
    C      0.44206772     -3.59478508      0.01125428
    H     -3.31504958     -1.12751400     -0.00540574
    H     -2.12092996      1.05231585     -0.01570059
    H      0.36858565      1.15685071     -0.01705948
    H      1.70658583     -1.00640649     -0.00984945
    O     -1.90140946     -3.53800196      0.00959275
    N     -0.49667427     -4.45682778      0.00594141
    C      2.17040588     -4.02423196      0.00586097
    O      2.40237786     -5.19119114      0.26202253
    O      2.83113868     -3.02155184     -0.25788244
16
E = -587.25240292 Hartree, idx = 3; coordinates in Angstrom.
    C     -0.07618644     -2.22377095      0.01410342
    C     -1.51925012     -2.30662817      0.01059428
    C     -2.23181520     -1.07387963     -0.00023820
    C     -1.54365471      0.13525823     -0.00723537
    C     -0.13637833      0.18992995     -0.00597355
    C      0.59774696     -1.00071458      0.00311581
    C      0.39530011     -3.59359371      0.01084740
    H     -3.32418625     -1.10534798     -0.00602042
    H     -2.11911095      1.06756971     -0.01604883
    H      0.37579853      1.15613858     -0.01687441
    H      1.68935431     -1.01098294     -0.00718276
    O     -2.05065743     -3.46770356      0.01109961
    N     -0.38954333     -4.53406053      0.00174633
    C      2.30923673     -4.05393121      0.00483033
    O      2.45209421     -5.21107655      0.26772443
    O      2.86885941     -3.02227427     -0.26441969
16
E = -587.26010573 Hartree, idx = 4; coordinates in Angstrom.
    C     -0.10520518     -2.22517319      0.01430739
    C     -1.56860545     -2.30821797      0.01172427
    C     -2.24291345     -1.04629458      0.00018313
    C     -1.54548971      0.14940904     -0.00679537
    C     -0.13430566      0.19300098     -0.00515218
    C      0.58235270     -1.00724639      0.00340519
    C      0.33090299     -3.58716529      0.00905594
    H     -3.33468863     -1.08363765     -0.00630397
    H     -2.11476149      1.08551179     -0.01707847
    H      0.38445533      1.15566776     -0.01636944
    H      1.67543976     -1.01273918     -0.00677219
    O     -2.15413739     -3.41769424      0.01342206
    N     -0.29346300     -4.60649224     -0.00298609
    C      2.44442946     -4.08809507      0.00436627
    O      2.49051732     -5.23263387      0.27437669
    O      2.88307990     -3.02326750     -0.26931485
16
E = -587.27451608 Hartree, idx = 5; coordinates in Angstrom.
    C     -0.14324400     -2.22733624      0.01358527
    C     -1.62051452     -2.29849433      0.01189629
    C     -2.25902027     -1.01291513      0.00006523
    C     -1.54772763      0.16848685     -0.00745963
    C     -0.13356310      0.19502399     -0.00544670
    C      0.56253558     -1.01537461      0.00343950
    C      0.26086876     -3.58471099      0.00581691
    H     -3.35053644     -1.04995858     -0.00568699
    H     -2.10824752      1.10859011     -0.01763297
    H      0.39553420      1.15097148     -0.01644022
    H      1.65712136     -1.02374506     -0.00516910
    O     -2.24646758     -3.37321760      0.01454498
    N     -0.17823029     -4.67805955     -0.00800527
    C      2.57846476     -4.12569730      0.00562303
    O      2.53688172     -5.25704523      0.28175980
    O      2.89375247     -3.03158540     -0.27082175
16
E = -587.29781236 Hartree, idx = 6; coordinates in Angstrom.
    C     -0.24545393     -2.24151274      0.01034799
    C     -1.72311905     -2.26111681      0.01314604
    C     -2.31054133     -0.94461819      0.00076933
    C     -1.56159315      0.21079512     -0.00674603
    C     -0.14478840      0.18843275     -0.00407949
    C      0.50362546     -1.04715546      0.00258576
    C      0.16235703     -3.59544483     -0.00478371
    H     -3.40238742     -0.94815296     -0.00519418
    H     -2.09020285      1.17001428     -0.01673962
    H      0.41681770      1.12707458     -0.01264436
    H      1.59885382     -1.08023499     -0.00496386
    O     -2.39513835     -3.30618189      0.01986882
    N      0.05450615     -4.75953045     -0.02731792
    C      2.77097236     -4.18736429      0.01067088
    O      2.71674988     -5.31349204      0.28760970
    O      2.94694959     -3.06657967     -0.26246098
16
E = -587.31214235 Hartree, idx = 7; coordinates in Angstrom.
    C     -0.35807494     -2.25947056      0.00291683
    C     -1.83003529     -2.22450159      0.01138070
    C     -2.37320550     -0.88191143      0.00403791
    C     -1.58095514      0.24572263     -0.00258532
    C     -0.16553001      0.17013877     -0.00225699
    C      0.43210484     -1.08903304     -0.00102540
    C      0.09683665     -3.60210645     -0.01932529
    H     -3.46504870     -0.83293201      0.00096537
    H     -2.06631416      1.22878271     -0.01055748
    H      0.43643158      1.08388902     -0.00939649
    H      1.52430390     -1.16624615     -0.00911365
    O     -2.53665060     -3.24877609      0.01909085
    N      0.25571393     -4.75903640     -0.04697100
    C      2.94057221     -4.24083044      0.01945686
    O      2.95538170     -5.37042540      0.28701006
    O      3.03207703     -3.10833117     -0.24355858
16
E = -587.32024779 Hartree, idx = 8; coordinates in Angstrom.
    C     -0.47015476     -2.27043829     -0.00793762
    C     -1.93711252     -2.18608839      0.00466230
    C     -2.43274240     -0.81882459     -0.00071429
    C     -1.59723680      0.27924331     -0.00592056
    C     -0.18575419      0.15166565     -0.00610186
    C      0.36022696     -1.12854458     -0.00890311
    C      0.03945731     -3.59539201     -0.03176571
    H     -3.52188864     -0.71548475     -0.00130976
    H     -2.04118246      1.28257045     -0.01189977
    H      0.45524416      1.03796516     -0.00818975
    H      1.44688958     -1.26009099     -0.01558079
    O     -2.67676600     -3.18832059      0.01524036
    N      0.39942995     -4.70622772     -0.05936403
    C      3.11641927     -4.31484040      0.04421255
    O      3.20216497     -5.44583469      0.29746765
    O      3.14061310     -3.17642519     -0.20382725
16
E = -587.32307388 Hartree, idx = 9; coordinates in Angstrom.
    C     -0.55804898     -2.28326461     -0.01450318
    C     -2.02342810     -2.17496355      0.00685632
    C     -2.49273779     -0.79356514      0.02119354
    C     -1.63654293      0.28971640      0.01740912
    C     -0.22816676      0.13592895     -0.00259843
    C      0.28943519     -1.15409258     -0.01908033
    C      0.00852035     -3.58738272     -0.03111870
    H     -3.57929254     -0.65964600      0.03560124
    H     -2.05819465      1.30308173      0.02945342
    H      0.43400935      1.00623534     -0.00587332
    H      1.37182284     -1.31537398     -0.03805654
    O     -2.78392289     -3.16210888      0.01133666
    N      0.51140728     -4.64170282     -0.04543788
    C      3.31273475     -4.34347616      0.01101001
    O      3.48756040     -5.47021337      0.24219258
    O      3.24245198     -3.20424022     -0.21831613
16
E = -587.32339679 Hartree, idx = 10; coordinates in Angstrom.
    C     -0.59656086     -2.26680230     -0.04014440
    C     -2.06338971     -2.17537234     -0.00507032
    C     -2.54775878     -0.79835712      0.03090737
    C     -1.70806194      0.29687280      0.03949810
    C     -0.29866712      0.15911751      0.01084024
    C      0.23254740     -1.12428311     -0.03010799
    C      0.02243419     -3.54799516     -0.08514443
    H     -3.63496059     -0.67471603      0.05185274
    H     -2.14357917      1.30491341      0.06868029
    H      0.35162703      1.03734748      0.02003029
    H      1.31668372     -1.27397700     -0.05621298
    O     -2.81746312     -3.16709756     -0.00630086
    N      0.60303155     -4.56134301     -0.12317888
    C      3.49564930     -4.42476884      0.03989262
    O      3.67137183     -5.55624581      0.24888692
    O      3.41470376     -3.28236055     -0.16436030
16
E = -587.32342422 Hartree, idx = 11; coordinates in Angstrom.
    C     -0.60153072     -2.21480780     -0.01634078
    C     -2.07082486     -2.14315229      0.00262124
    C     -2.57484354     -0.77196603      0.01511225
    C     -1.74913607      0.33464765      0.00858284
    C     -0.33707614      0.21758964     -0.01151817
    C      0.21084653     -1.05967305     -0.02389268
    C      0.03452402     -3.48951517     -0.02398681
    H     -3.66494241     -0.66453451      0.03062882
    H     -2.19804574      1.33655119      0.01987907
    H      0.30323729      1.10428379     -0.01643648
    H      1.29776745     -1.19297895     -0.04049516
    O     -2.81066496     -3.14548229      0.00781829
    N      0.62619773     -4.49714743     -0.02909402
    C      3.57839565     -4.62383823      0.02564462
    O      3.66780251     -5.76331458      0.24590742
    O      3.58590075     -3.48172955     -0.19436208
16
E = -587.32362846 Hartree, idx = 12; coordinates in Angstrom.
    C     -0.57804411     -2.20093610     -0.02697914
    C     -2.04718407     -2.13653474     -0.00188843
    C     -2.55757510     -0.76840408      0.01227219
    C     -1.73764013      0.34205772     -0.00085163
    C     -0.32513106      0.23193928     -0.02915694
    C      0.22931408     -1.04245945     -0.04205506
    C      0.05548788     -3.47562132     -0.03141809
    H     -3.64787935     -0.66750250      0.03475641
    H     -2.19174526      1.34130247      0.01164172
    H      0.30994025      1.12219323     -0.03935893
    H      1.31714722     -1.16922234     -0.06518296
    O     -2.78143847     -3.14277602      0.00717152
    N      0.63531496     -4.48976768     -0.03281233
    C      3.50494234     -4.66577196      0.06709235
    O      3.52049596     -5.70937093      0.58143793
    O      3.59160237     -3.62419322     -0.44460024
16
E = -587.32371310 Hartree, idx = 13; coordinates in Angstrom.
    C     -0.55995336     -2.21665251     -0.08830494
    C     -2.02782838     -2.14685982     -0.03264798
    C     -2.53148485     -0.77738533      0.02078066
    C     -1.70629114      0.32920693      0.00951032
    C     -0.29526796      0.21397030     -0.05544079
    C      0.25314582     -1.06229394     -0.10266933
    C      0.06244633     -3.49536411     -0.11616995
    H     -3.62035260     -0.67293526      0.07271855
    H     -2.15536104      1.32955906      0.05432682
    H      0.34320969      1.10205880     -0.06378743
    H      1.33947638     -1.19354597     -0.15164560
    O     -2.76504227     -3.15098860     -0.02900651
    N      0.63029643     -4.51622708     -0.13357481
    C      3.40760652     -4.59951684      0.20175775
    O      3.40501571     -5.57690553      0.83359927
    O      3.51799221     -3.62118772     -0.41937764