Results from an EMSL Arrows Request
Making molecular modeling accessible by combining NWChem, databases, web APIs (https://arrows.emsl.pnnl.gov/api), and email (arrows@emsl.pnnl.gov)
nwdatafile: fetch Id=50521 datafilename=cosmo.xyz-263863-2019-7-11-22:39:19
128
cosmo charges (= -Bq-charge) (coordinates in Angstrom) format: Bq x y z q
Bq 0.26707181305913275 0.26707181305913275 1.9874290662407599 2.3692760919466647E-003
Bq 1.0455731883142423 0.28494158564012684 1.7082488111078213 1.8218694794841935E-003
Bq 0.28494158564012684 1.0455731883142425 1.7082488111078213 2.2481792312147057E-003
Bq 0.55374158094431614 0.55374158094431614 1.8652800119731576 2.5103543527580678E-003
Bq 1.9874290662407599 0.26707181305913275 0.26707181305913275 -1.0728515899983617E-003
Bq 1.7082488111078213 0.28494158564012684 1.0455731883142423 5.6788432913831301E-005
Bq 1.7082488111078213 1.0455731883142425 0.28494158564012684 1.7001837558563064E-003
Bq 1.8652800119731576 0.55374158094431614 0.55374158094431614 2.3347388254503899E-004
Bq 0.26707181305913275 1.9874290662407599 0.26707181305913275 7.9219556579411424E-004
Bq 1.0455731883142423 1.7082488111078213 0.28494158564012684 2.6261413999931469E-003
Bq 0.28494158564012684 1.7082488111078213 1.0455731883142425 1.4098491492113318E-003
Bq 0.55374158094431614 1.8652800119731576 0.55374158094431614 1.7785054523739847E-003
Bq 1.3705783407540975 0.57927456677424871 1.3705783407540975 1.7284796350743210E-003
Bq 1.3705783407540975 1.3705783407540975 0.57927456677424871 2.6318413566776971E-003
Bq 0.57927456677424871 1.3705783407540975 1.3705783407540975 2.4627856834730805E-003
Bq 1.1679795945706135 1.1679795945706135 1.1679795945706135 2.7497871590954209E-003
Bq -0.26707181305913275 0.26707181305913275 1.9874290662407599 2.0334870199073892E-003
Bq -0.28494158564012684 1.0455731883142423 1.7082488111078213 1.0051257063112072E-003
Bq -1.0455731883142425 0.28494158564012684 1.7082488111078213 4.3048515867408817E-004
Bq -0.55374158094431614 0.55374158094431614 1.8652800119731576 1.1670692479546041E-003
Bq -0.26707181305913275 1.9874290662407599 0.26707181305913275 -1.1491034590882319E-003
Bq -0.28494158564012684 1.7082488111078213 1.0455731883142423 -5.1396534017704410E-004
Bq -1.0455731883142425 1.7082488111078213 0.28494158564012684 -4.1225106487080901E-003
Bq -0.55374158094431614 1.8652800119731576 0.55374158094431614 -2.1327228817607617E-003
Bq -1.9874290662407599 0.26707181305913275 0.26707181305913275 -3.0667124703490345E-003
Bq -1.7082488111078213 1.0455731883142423 0.28494158564012684 -5.0726870198425662E-003
Bq -1.7082488111078213 0.28494158564012684 1.0455731883142425 -2.0379380278653433E-003
Bq -1.8652800119731576 0.55374158094431614 0.55374158094431614 -3.7618041049610178E-003
Bq -0.57927456677424871 1.3705783407540975 1.3705783407540975 -8.0174895990835573E-004
Bq -1.3705783407540975 1.3705783407540975 0.57927456677424871 -4.6713559182732381E-003
Bq -1.3705783407540975 0.57927456677424871 1.3705783407540975 -1.6610180276381101E-003
Bq -1.1679795945706135 1.1679795945706135 1.1679795945706135 -2.8752716350050967E-003
Bq -0.26707181305913275 -0.26707181305913275 1.9874290662407599 2.3541562718367437E-003
Bq -1.0455731883142423 -0.28494158564012684 1.7082488111078213 1.6590302969418499E-003
Bq -0.28494158564012684 -1.0455731883142425 1.7082488111078213 2.3437089189072024E-003
Bq -0.55374158094431614 -0.55374158094431614 1.8652800119731576 2.4800519839171856E-003
Bq -1.9874290662407599 -0.26707181305913275 0.26707181305913275 -1.1259244379049067E-003
Bq -1.7082488111078213 -0.28494158564012684 1.0455731883142423 -1.2224123370582158E-004
Bq -1.7082488111078213 -1.0455731883142425 0.28494158564012684 1.6693533305009306E-003
Bq -1.8652800119731576 -0.55374158094431614 0.55374158094431614 1.4252214280694519E-004
Bq -0.26707181305913275 -1.9874290662407599 0.26707181305913275 8.2792569769207260E-004
Bq -1.0455731883142423 -1.7082488111078213 0.28494158564012684 2.6329137839181060E-003
Bq -0.28494158564012684 -1.7082488111078213 1.0455731883142425 1.5269644806572915E-003
Bq -0.55374158094431614 -1.8652800119731576 0.55374158094431614 1.8294930217424982E-003
Bq -1.3705783407540975 -0.57927456677424871 1.3705783407540975 1.5797946424169341E-003
Bq -1.3705783407540975 -1.3705783407540975 0.57927456677424871 2.6070533197454474E-003
Bq -0.57927456677424871 -1.3705783407540975 1.3705783407540975 2.5302752538009380E-003
Bq -1.1679795945706135 -1.1679795945706135 1.1679795945706135 2.7070909110396557E-003
Bq 0.26707181305913275 -0.26707181305913275 1.9874290662407599 2.1370143982368780E-003
Bq 0.28494158564012684 -1.0455731883142423 1.7082488111078213 1.2166463632427712E-003
Bq 1.0455731883142425 -0.28494158564012684 1.7082488111078213 6.7981044071667310E-004
Bq 0.55374158094431614 -0.55374158094431614 1.8652800119731576 1.3746336524677412E-003
Bq 0.26707181305913275 -1.9874290662407599 0.26707181305913275 -1.0963308581168111E-003
Bq 0.28494158564012684 -1.7082488111078213 1.0455731883142423 -3.2387713325260993E-004
Bq 1.0455731883142425 -1.7082488111078213 0.28494158564012684 -4.0427314414405828E-003
Bq 0.55374158094431614 -1.8652800119731576 0.55374158094431614 -2.0062949868722688E-003
Bq 1.9874290662407599 -0.26707181305913275 0.26707181305913275 -3.0009092850213771E-003
Bq 1.7082488111078213 -1.0455731883142423 0.28494158564012684 -4.9873690098893534E-003
Bq 1.7082488111078213 -0.28494158564012684 1.0455731883142425 -1.8044348958992735E-003
Bq 1.8652800119731576 -0.55374158094431614 0.55374158094431614 -3.6145201727081780E-003
Bq 0.57927456677424871 -1.3705783407540975 1.3705783407540975 -5.3943990177991426E-004
Bq 1.3705783407540975 -1.3705783407540975 0.57927456677424871 -4.5011819637809317E-003
Bq 1.3705783407540975 -0.57927456677424871 1.3705783407540975 -1.3670063860842959E-003
Bq 1.1679795945706135 -1.1679795945706135 1.1679795945706135 -2.5823648818143899E-003
Bq 0.26707181305913275 0.26707181305913275 -1.9874290662407599 2.3541562718366708E-003
Bq 1.0455731883142423 0.28494158564012684 -1.7082488111078213 1.6590302969417873E-003
Bq 0.28494158564012684 1.0455731883142425 -1.7082488111078213 2.3437089189065627E-003
Bq 0.55374158094431614 0.55374158094431614 -1.8652800119731576 2.4800519839174575E-003
Bq 1.9874290662407599 0.26707181305913275 -0.26707181305913275 -1.1259244379050362E-003
Bq 1.7082488111078213 0.28494158564012684 -1.0455731883142423 -1.2224123370587904E-004
Bq 1.7082488111078213 1.0455731883142425 -0.28494158564012684 1.6693533305007873E-003
Bq 1.8652800119731576 0.55374158094431614 -0.55374158094431614 1.4252214280655628E-004
Bq 0.26707181305913275 1.9874290662407599 -0.26707181305913275 8.2792569769213516E-004
Bq 1.0455731883142423 1.7082488111078213 -0.28494158564012684 2.6329137839181745E-003
Bq 0.28494158564012684 1.7082488111078213 -1.0455731883142425 1.5269644806571376E-003
Bq 0.55374158094431614 1.8652800119731576 -0.55374158094431614 1.8294930217425834E-003
Bq 1.3705783407540975 0.57927456677424871 -1.3705783407540975 1.5797946424165924E-003
Bq 1.3705783407540975 1.3705783407540975 -0.57927456677424871 2.6070533197458962E-003
Bq 0.57927456677424871 1.3705783407540975 -1.3705783407540975 2.5302752538011804E-003
Bq 1.1679795945706135 1.1679795945706135 -1.1679795945706135 2.7070909110392658E-003
Bq -0.26707181305913275 0.26707181305913275 -1.9874290662407599 2.1370143982364993E-003
Bq -0.28494158564012684 1.0455731883142423 -1.7082488111078213 1.2166463632424331E-003
Bq -1.0455731883142425 0.28494158564012684 -1.7082488111078213 6.7981044071624126E-004
Bq -0.55374158094431614 0.55374158094431614 -1.8652800119731576 1.3746336524677035E-003
Bq -0.26707181305913275 1.9874290662407599 -0.26707181305913275 -1.0963308581167332E-003
Bq -0.28494158564012684 1.7082488111078213 -1.0455731883142423 -3.2387713325245245E-004
Bq -1.0455731883142425 1.7082488111078213 -0.28494158564012684 -4.0427314414401908E-003
Bq -0.55374158094431614 1.8652800119731576 -0.55374158094431614 -2.0062949868727893E-003
Bq -1.9874290662407599 0.26707181305913275 -0.26707181305913275 -3.0009092850213836E-003
Bq -1.7082488111078213 1.0455731883142423 -0.28494158564012684 -4.9873690098898660E-003
Bq -1.7082488111078213 0.28494158564012684 -1.0455731883142425 -1.8044348958994804E-003
Bq -1.8652800119731576 0.55374158094431614 -0.55374158094431614 -3.6145201727080913E-003
Bq -0.57927456677424871 1.3705783407540975 -1.3705783407540975 -5.3943990177972019E-004
Bq -1.3705783407540975 1.3705783407540975 -0.57927456677424871 -4.5011819637811199E-003
Bq -1.3705783407540975 0.57927456677424871 -1.3705783407540975 -1.3670063860844290E-003
Bq -1.1679795945706135 1.1679795945706135 -1.1679795945706135 -2.5823648818142312E-003
Bq -0.26707181305913275 -0.26707181305913275 -1.9874290662407599 2.3692760919468135E-003
Bq -1.0455731883142423 -0.28494158564012684 -1.7082488111078213 1.8218694794845962E-003
Bq -0.28494158564012684 -1.0455731883142425 -1.7082488111078213 2.2481792312145049E-003
Bq -0.55374158094431614 -0.55374158094431614 -1.8652800119731576 2.5103543527581671E-003
Bq -1.9874290662407599 -0.26707181305913275 -0.26707181305913275 -1.0728515899981483E-003
Bq -1.7082488111078213 -0.28494158564012684 -1.0455731883142423 5.6788432913854747E-005
Bq -1.7082488111078213 -1.0455731883142425 -0.28494158564012684 1.7001837558565166E-003
Bq -1.8652800119731576 -0.55374158094431614 -0.55374158094431614 2.3347388254496372E-004
Bq -0.26707181305913275 -1.9874290662407599 -0.26707181305913275 7.9219556579409179E-004
Bq -1.0455731883142423 -1.7082488111078213 -0.28494158564012684 2.6261413999934227E-003
Bq -0.28494158564012684 -1.7082488111078213 -1.0455731883142425 1.4098491492113892E-003
Bq -0.55374158094431614 -1.8652800119731576 -0.55374158094431614 1.7785054523739806E-003
Bq -1.3705783407540975 -0.57927456677424871 -1.3705783407540975 1.7284796350743401E-003
Bq -1.3705783407540975 -1.3705783407540975 -0.57927456677424871 2.6318413566773420E-003
Bq -0.57927456677424871 -1.3705783407540975 -1.3705783407540975 2.4627856834725458E-003
Bq -1.1679795945706135 -1.1679795945706135 -1.1679795945706135 2.7497871590957514E-003
Bq 0.26707181305913275 -0.26707181305913275 -1.9874290662407599 2.0334870199075540E-003
Bq 0.28494158564012684 -1.0455731883142423 -1.7082488111078213 1.0051257063113099E-003
Bq 1.0455731883142425 -0.28494158564012684 -1.7082488111078213 4.3048515867395493E-004
Bq 0.55374158094431614 -0.55374158094431614 -1.8652800119731576 1.1670692479544306E-003
Bq 0.26707181305913275 -1.9874290662407599 -0.26707181305913275 -1.1491034590882547E-003
Bq 0.28494158564012684 -1.7082488111078213 -1.0455731883142423 -5.1396534017701125E-004
Bq 1.0455731883142425 -1.7082488111078213 -0.28494158564012684 -4.1225106487081135E-003
Bq 0.55374158094431614 -1.8652800119731576 -0.55374158094431614 -2.1327228817607661E-003
Bq 1.9874290662407599 -0.26707181305913275 -0.26707181305913275 -3.0667124703489513E-003
Bq 1.7082488111078213 -1.0455731883142423 -0.28494158564012684 -5.0726870198426052E-003
Bq 1.7082488111078213 -0.28494158564012684 -1.0455731883142425 -2.0379380278654981E-003
Bq 1.8652800119731576 -0.55374158094431614 -0.55374158094431614 -3.7618041049609558E-003
Bq 0.57927456677424871 -1.3705783407540975 -1.3705783407540975 -8.0174895990830174E-004
Bq 1.3705783407540975 -1.3705783407540975 -0.57927456677424871 -4.6713559182732468E-003
Bq 1.3705783407540975 -0.57927456677424871 -1.3705783407540975 -1.6610180276379828E-003
Bq 1.1679795945706135 -1.1679795945706135 -1.1679795945706135 -2.8752716350050498E-003