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Cu_Me2nac.xyz
47 lines (47 loc) · 3.01 KB
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Cu_Me2nac.xyz
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Coordinates from ORCA-job Cu_Me2nac
C 15.16039093391615 11.36083015812029 11.96024030150609
C 15.15254243317873 13.63667313747524 13.05747141367922
C 9.84665602452568 13.63764914996506 11.94282219076605
C 9.84042494029996 11.36176669760069 13.03998616609393
C 11.63400797743712 10.00157800207005 13.83340754519277
C 13.36802175429138 10.00123765630403 11.16293630970920
C 15.76558653611360 12.49973569508425 12.51114998878296
C 16.10226351034610 10.26958361364170 11.50269758227008
C 9.23441844099042 12.50113672406527 12.49085342915527
C 13.34904221408097 14.98782251344235 13.84434834012820
C 11.64901655493363 14.98821495475512 11.15210377868004
C 16.08694466720843 14.73132623689199 13.52179263558423
C 8.89908922762528 10.27129335214405 13.50045167597223
C 8.91174463288390 14.73312171618999 11.48147641336631
Cu 12.49994387231477 12.49527114912835 12.49698580432878
H 12.71417956589092 10.06861867611638 13.93674000968871
H 11.40641173661949 9.08570754161484 13.27713184171245
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H 13.59312339747697 9.08589767810408 11.72110670189469
H 13.79482989224810 9.88951285635019 10.16112473361400
H 16.84504161324791 12.50131120720582 12.51570780156418
H 15.86964152160943 9.32347491070207 11.99636995400453
H 17.13182515991346 10.53237871762654 11.73371039556982
H 16.02066861995224 10.09398780192338 10.42727516528060
H 8.15495644130444 12.50363930180584 12.48997052682426
H 12.26788920981554 14.91909645394480 13.93534360502342
H 13.58195865779990 15.90657917985499 13.29510235821534
H 13.76189116848710 15.09337477406519 14.85272503204349
H 12.72986471697302 14.91869630171436 11.05792435697828
H 11.41861496764346 15.90645513841669 11.70327949892557
H 11.23336057118704 15.09550566961003 10.14507985223887
H 15.85490523108319 15.67629985183401 13.02568919547412
H 17.11918439661605 14.47205039643348 13.29875407803477
H 15.99640338156941 14.90732721927047 14.59646506095909
H 9.13011852236390 9.32474520016403 13.00690017765820
H 7.86913009933513 10.53445692830149 13.27160428526627
H 8.98303510257559 10.09643957570026 14.57582602915268
H 9.14545327464062 15.67761487376338 11.97773677305307
H 7.87988255643636 14.47426501811805 11.70669266572740
H 8.99993998992935 14.90990226238115 10.40674882861203
N 11.15167223010761 13.78915600087999 11.81346195759969
N 11.14444898282271 11.20365286259280 13.17177214691430
N 13.84729175426534 13.78916007249865 13.18295239502954
N 13.85661644127894 11.20372388905443 11.82454028413734