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=49722 datafilename=cosmo.xyz-842902-2019-2-24-12:37:2
208
cosmo charges (= -Bq-charge) (coordinates in Angstrom) format: Bq x y z q
Bq -0.85548644841930033 0.28515823836269244 2.1220201597034314 -1.0930783421346281E-003
Bq -2.4264021058431742E-002 0.30423817349613147 1.8239334809653458 1.1090637894856743E-003
Bq -0.83640651328586113 1.1163806657235611 1.8239334809653458 -1.0581519767106421E-003
Bq -0.54940305809206513 0.59124162868992747 1.9915990241532484 -4.2722959153226913E-004
Bq -0.85548644841930033 2.1220201597034314 0.28515823836269244 -1.0930783507246910E-003
Bq -2.4264021058431742E-002 1.8239334809653458 0.30423817349613147 1.1090637838871732E-003
Bq -0.83640651328586113 1.8239334809653458 1.1163806657235611 -1.0581519810499711E-003
Bq -0.54940305809206513 1.9915990241532484 0.59124162868992747 -4.2722959948645456E-004
Bq -0.52214094766564201 1.4633955590849486 1.4633955590849486 -2.3803298365639790E-004
Bq 0.10643189466759982 1.2470765814495925 1.2470765814495925 8.5116361463481572E-006
Bq -1.4258029251446851 0.28515823836269244 2.1220201597034314 -1.5467198952406206E-003
Bq -1.4448828602781241 1.1163806657235609 1.8239334809653458 -1.6440971002815790E-003
Bq -2.2570253525055537 0.30423817349613147 1.8239334809653458 -4.1412349715640086E-004
Bq -1.7318863154719202 0.59124162868992747 1.9915990241532484 -1.4377044307400996E-003
Bq -1.4258029251446851 2.1220201597034314 0.28515823836269244 -1.5467199033029329E-003
Bq -1.4448828602781241 1.8239334809653458 1.1163806657235609 -1.6440971043532068E-003
Bq -2.2570253525055537 1.8239334809653458 0.30423817349613147 -4.1412350514542779E-004
Bq -1.7318863154719202 1.9915990241532484 0.59124162868992747 -1.4377044378922688E-003
Bq -3.2626648464854244 0.28515823836269244 0.28515823836269244 4.2837316395365607E-003
Bq -2.9645781677473382 1.1163806657235609 0.30423817349613147 2.6238410752217225E-003
Bq -2.9645781677473382 0.30423817349613147 1.1163806657235611 2.6238410797615832E-003
Bq -3.1322437109352412 0.59124162868992747 0.59124162868992747 3.5567875009237830E-003
Bq -1.7591484258983434 1.4633955590849486 1.4633955590849486 -1.4896537642308141E-003
Bq -2.6040402458669414 1.4633955590849486 0.61850373911635070 8.3964599897940189E-004
Bq -2.6040402458669414 0.61850373911635070 1.4633955590849486 8.3964600427232782E-004
Bq -2.3877212682315849 1.2470765814495925 1.2470765814495925 -2.4235967746685573E-005
Bq -1.4258029251446851 -0.28515823836269244 2.1220201597034314 -1.5467198953968359E-003
Bq -2.2570253525055533 -0.30423817349613147 1.8239334809653458 -4.1412349705852061E-004
Bq -1.4448828602781241 -1.1163806657235611 1.8239334809653458 -1.6440971006608125E-003
Bq -1.7318863154719202 -0.59124162868992747 1.9915990241532484 -1.4377044308907510E-003
Bq -3.2626648464854244 -0.28515823836269244 0.28515823836269244 4.2837316395397404E-003
Bq -2.9645781677473382 -0.30423817349613147 1.1163806657235609 2.6238410798838014E-003
Bq -2.9645781677473382 -1.1163806657235611 0.30423817349613147 2.6238410760130375E-003
Bq -3.1322437109352412 -0.59124162868992747 0.59124162868992747 3.5567875010925035E-003
Bq -1.4258029251446851 -2.1220201597034314 0.28515823836269244 -1.5467199031540574E-003
Bq -2.2570253525055533 -1.8239334809653458 0.30423817349613147 -4.1412350352232010E-004
Bq -1.4448828602781241 -1.8239334809653458 1.1163806657235611 -1.6440971043911391E-003
Bq -1.7318863154719202 -1.9915990241532484 0.59124162868992747 -1.4377044372306102E-003
Bq -2.6040402458669414 -0.61850373911635070 1.4633955590849486 8.3964600464022461E-004
Bq -2.6040402458669414 -1.4633955590849486 0.61850373911635070 8.3964600038117653E-004
Bq -1.7591484258983434 -1.4633955590849486 1.4633955590849486 -1.4896537640547677E-003
Bq -2.3877212682315849 -1.2470765814495925 1.2470765814495925 -2.4235966831152035E-005
Bq -0.85548644841930033 -0.28515823836269244 2.1220201597034314 -1.0930783422928179E-003
Bq -0.83640651328586113 -1.1163806657235609 1.8239334809653458 -1.0581519769155010E-003
Bq -2.4264021058431506E-002 -0.30423817349613147 1.8239334809653458 1.1090637898626033E-003
Bq -0.54940305809206513 -0.59124162868992747 1.9915990241532484 -4.2722959154544994E-004
Bq -0.85548644841930033 -2.1220201597034314 0.28515823836269244 -1.0930783502001934E-003
Bq -0.83640651328586113 -1.8239334809653458 1.1163806657235609 -1.0581519806796154E-003
Bq -2.4264021058431506E-002 -1.8239334809653458 0.30423817349613147 1.1090637884691181E-003
Bq -0.54940305809206513 -1.9915990241532484 0.59124162868992747 -4.2722959790134784E-004
Bq -0.52214094766564201 -1.4633955590849486 1.4633955590849486 -2.3803298268810813E-004
Bq 0.10643189466759982 -1.2470765814495925 1.2470765814495925 8.5116361672727221E-006
Bq -0.85548644841930033 0.28515823836269244 -2.1220201597034314 -1.0930783556622416E-003
Bq -2.4264021058431742E-002 0.30423817349613147 -1.8239334809653458 1.1090637854445633E-003
Bq -0.83640651328586113 1.1163806657235611 -1.8239334809653458 -1.0581519868234951E-003
Bq -0.54940305809206513 0.59124162868992747 -1.9915990241532484 -4.2722960249926884E-004
Bq -0.85548644841930033 2.1220201597034314 -0.28515823836269244 -1.0930783513272994E-003
Bq -2.4264021058431742E-002 1.8239334809653458 -0.30423817349613147 1.1090637838247308E-003
Bq -0.83640651328586113 1.8239334809653458 -1.1163806657235611 -1.0581519848826800E-003
Bq -0.54940305809206513 1.9915990241532484 -0.59124162868992747 -4.2722960073268050E-004
Bq -0.52214094766564201 1.4633955590849486 -1.4633955590849486 -2.3803298952656640E-004
Bq 0.10643189466759982 1.2470765814495925 -1.2470765814495925 8.5116361429043974E-006
Bq -1.4258029251446851 0.28515823836269244 -2.1220201597034314 -1.5467199096648710E-003
Bq -1.4448828602781241 1.1163806657235609 -1.8239334809653458 -1.6440971109990348E-003
Bq -2.2570253525055537 0.30423817349613147 -1.8239334809653458 -4.1412350678078625E-004
Bq -1.7318863154719202 0.59124162868992747 -1.9915990241532484 -1.4377044431643535E-003
Bq -1.4258029251446851 2.1220201597034314 -0.28515823836269244 -1.5467199038939352E-003
Bq -1.4448828602781241 1.8239334809653458 -1.1163806657235609 -1.6440971083158096E-003
Bq -2.2570253525055537 1.8239334809653458 -0.30423817349613147 -4.1412350568481826E-004
Bq -1.7318863154719202 1.9915990241532484 -0.59124162868992747 -1.4377044392212381E-003
Bq -3.2626648464854244 0.28515823836269244 -0.28515823836269244 4.2837316384020038E-003
Bq -2.9645781677473382 1.1163806657235609 -0.30423817349613147 2.6238410743481514E-003
Bq -2.9645781677473382 0.30423817349613147 -1.1163806657235611 2.6238410753548322E-003
Bq -3.1322437109352412 0.59124162868992747 -0.59124162868992747 3.5567874987043509E-003
Bq -1.7591484258983434 1.4633955590849486 -1.4633955590849486 -1.4896537707561111E-003
Bq -2.6040402458669414 1.4633955590849486 -0.61850373911635070 8.3964599750794319E-004
Bq -2.6040402458669414 0.61850373911635070 -1.4633955590849486 8.3964599809905629E-004
Bq -2.3877212682315849 1.2470765814495925 -1.2470765814495925 -2.4235972187225632E-005
Bq -1.4258029251446851 -0.28515823836269244 -2.1220201597034314 -1.5467199099176230E-003
Bq -2.2570253525055533 -0.30423817349613147 -1.8239334809653458 -4.1412350679162453E-004
Bq -1.4448828602781241 -1.1163806657235611 -1.8239334809653458 -1.6440971117306828E-003
Bq -1.7318863154719202 -0.59124162868992747 -1.9915990241532484 -1.4377044435912813E-003
Bq -3.2626648464854244 -0.28515823836269244 -0.28515823836269244 4.2837316384355464E-003
Bq -2.9645781677473382 -0.30423817349613147 -1.1163806657235609 2.6238410755153735E-003
Bq -2.9645781677473382 -1.1163806657235611 -0.30423817349613147 2.6238410751873074E-003
Bq -3.1322437109352412 -0.59124162868992747 -0.59124162868992747 3.5567874989762480E-003
Bq -1.4258029251446851 -2.1220201597034314 -0.28515823836269244 -1.5467199038193395E-003
Bq -2.2570253525055533 -1.8239334809653458 -0.30423817349613147 -4.1412350416114113E-004
Bq -1.4448828602781241 -1.8239334809653458 -1.1163806657235611 -1.6440971086811699E-003
Bq -1.7318863154719202 -1.9915990241532484 -0.59124162868992747 -1.4377044388016625E-003
Bq -2.6040402458669414 -0.61850373911635070 -1.4633955590849486 8.3964599839126970E-004
Bq -2.6040402458669414 -1.4633955590849486 -0.61850373911635070 8.3964599885770334E-004
Bq -1.7591484258983434 -1.4633955590849486 -1.4633955590849486 -1.4896537710425938E-003
Bq -2.3877212682315849 -1.2470765814495925 -1.2470765814495925 -2.4235971501776945E-005
Bq -0.85548644841930033 -0.28515823836269244 -2.1220201597034314 -1.0930783558364934E-003
Bq -0.83640651328586113 -1.1163806657235609 -1.8239334809653458 -1.0581519872728559E-003
Bq -2.4264021058431506E-002 -0.30423817349613147 -1.8239334809653458 1.1090637850272604E-003
Bq -0.54940305809206513 -0.59124162868992747 -1.9915990241532484 -4.2722960296249276E-004
Bq -0.85548644841930033 -2.1220201597034314 -0.28515823836269244 -1.0930783508033084E-003
Bq -0.83640651328586113 -1.8239334809653458 -1.1163806657235609 -1.0581519847186335E-003
Bq -2.4264021058431506E-002 -1.8239334809653458 -0.30423817349613147 1.1090637876199393E-003
Bq -0.54940305809206513 -1.9915990241532484 -0.59124162868992747 -4.2722959955228249E-004
Bq -0.52214094766564201 -1.4633955590849486 -1.4633955590849486 -2.3803298953822011E-004
Bq 0.10643189466759982 -1.2470765814495925 -1.2470765814495925 8.5116361518037592E-006
Bq 1.4258029251446851 0.28515823836269244 2.1220201597034314 -1.5467199050369744E-003
Bq 2.2570253525055533 0.30423817349613147 1.8239334809653458 -4.1412350644056637E-004
Bq 1.4448828602781241 1.1163806657235611 1.8239334809653458 -1.6440971094418297E-003
Bq 1.7318863154719202 0.59124162868992747 1.9915990241532484 -1.4377044398753759E-003
Bq 3.2626648464854244 0.28515823836269244 0.28515823836269244 4.2837316370568082E-003
Bq 2.9645781677473382 0.30423817349613147 1.1163806657235609 2.6238410726401756E-003
Bq 2.9645781677473382 1.1163806657235611 0.30423817349613147 2.6238410723786426E-003
Bq 3.1322437109352412 0.59124162868992747 0.59124162868992747 3.5567874970213664E-003
Bq 1.4258029251446851 2.1220201597034314 0.28515823836269244 -1.5467199098229286E-003
Bq 2.2570253525055533 1.8239334809653458 0.30423817349613147 -4.1412350927910637E-004
Bq 1.4448828602781241 1.8239334809653458 1.1163806657235611 -1.6440971117420091E-003
Bq 1.7318863154719202 1.9915990241532484 0.59124162868992747 -1.4377044435828887E-003
Bq 2.6040402458669414 0.61850373911635070 1.4633955590849486 8.3964599591796439E-004
Bq 2.6040402458669414 1.4633955590849486 0.61850373911635070 8.3964599480033919E-004
Bq 1.7591484258983434 1.4633955590849486 1.4633955590849486 -1.4896537715651304E-003
Bq 2.3877212682315849 1.2470765814495925 1.2470765814495925 -2.4235974274099884E-005
Bq 0.85548644841930033 0.28515823836269244 2.1220201597034314 -1.0930783539539713E-003
Bq 0.83640651328586113 1.1163806657235609 1.8239334809653458 -1.0581519878142976E-003
Bq 2.4264021058431506E-002 0.30423817349613147 1.8239334809653458 1.1090637889653386E-003
Bq 0.54940305809206513 0.59124162868992747 1.9915990241532484 -4.2722960296226491E-004
Bq 0.85548644841930033 2.1220201597034314 0.28515823836269244 -1.0930783584679833E-003
Bq 0.83640651328586113 1.8239334809653458 1.1163806657235609 -1.0581519900761738E-003
Bq 2.4264021058431506E-002 1.8239334809653458 0.30423817349613147 1.1090637835205811E-003
Bq 0.54940305809206513 1.9915990241532484 0.59124162868992747 -4.2722960682527948E-004
Bq 0.52214094766564201 1.4633955590849486 1.4633955590849486 -2.3803299295251286E-004
Bq -0.10643189466759982 1.2470765814495925 1.2470765814495925 8.5116361547291095E-006
Bq 0.85548644841930033 -0.28515823836269244 2.1220201597034314 -1.0930783531696896E-003
Bq 2.4264021058431742E-002 -0.30423817349613147 1.8239334809653458 1.1090637894053113E-003
Bq 0.83640651328586113 -1.1163806657235611 1.8239334809653458 -1.0581519822717056E-003
Bq 0.54940305809206513 -0.59124162868992747 1.9915990241532484 -4.2722960108071103E-004
Bq 0.85548644841930033 -2.1220201597034314 0.28515823836269244 -1.0930783380512503E-003
Bq 2.4264021058431742E-002 -1.8239334809653458 0.30423817349613147 1.1090637888029680E-003
Bq 0.83640651328586113 -1.8239334809653458 1.1163806657235611 -1.0581519748835435E-003
Bq 0.54940305809206513 -1.9915990241532484 0.59124162868992747 -4.2722959000068877E-004
Bq 0.52214094766564201 -1.4633955590849486 1.4633955590849486 -2.3803298390008150E-004
Bq -0.10643189466759982 -1.2470765814495925 1.2470765814495925 8.5116361672932373E-006
Bq 1.4258029251446851 -0.28515823836269244 2.1220201597034314 -1.5467199044154345E-003
Bq 1.4448828602781241 -1.1163806657235609 1.8239334809653458 -1.6440971044498968E-003
Bq 2.2570253525055537 -0.30423817349613147 1.8239334809653458 -4.1412350585630277E-004
Bq 1.7318863154719202 -0.59124162868992747 1.9915990241532484 -1.4377044383496666E-003
Bq 1.4258029251446851 -2.1220201597034314 0.28515823836269244 -1.5467198899411507E-003
Bq 1.4448828602781241 -1.8239334809653458 1.1163806657235609 -1.6440970972322363E-003
Bq 2.2570253525055537 -1.8239334809653458 0.30423817349613147 -4.1412349641908766E-004
Bq 1.7318863154719202 -1.9915990241532484 0.59124162868992747 -1.4377044267833519E-003
Bq 3.2626648464854244 -0.28515823836269244 0.28515823836269244 4.2837316370396639E-003
Bq 2.9645781677473382 -1.1163806657235609 0.30423817349613147 2.6238410755423766E-003
Bq 2.9645781677473382 -0.30423817349613147 1.1163806657235611 2.6238410730255774E-003
Bq 3.1322437109352412 -0.59124162868992747 0.59124162868992747 3.5567874976192002E-003
Bq 1.7591484258983434 -1.4633955590849486 1.4633955590849486 -1.4896537630972541E-003
Bq 2.6040402458669414 -1.4633955590849486 0.61850373911635070 8.3964600218987945E-004
Bq 2.6040402458669414 -0.61850373911635070 1.4633955590849486 8.3964599737497371E-004
Bq 2.3877212682315849 -1.2470765814495925 1.2470765814495925 -2.4235968675131130E-005
Bq 1.4258029251446851 0.28515823836269244 -2.1220201597034314 -1.5467199053887911E-003
Bq 2.2570253525055533 0.30423817349613147 -1.8239334809653458 -4.1412350713839450E-004
Bq 1.4448828602781241 1.1163806657235611 -1.8239334809653458 -1.6440971102224273E-003
Bq 1.7318863154719202 0.59124162868992747 -1.9915990241532484 -1.4377044407271479E-003
Bq 3.2626648464854244 0.28515823836269244 -0.28515823836269244 4.2837316370655174E-003
Bq 2.9645781677473382 0.30423817349613147 -1.1163806657235609 2.6238410726488284E-003
Bq 2.9645781677473382 1.1163806657235611 -0.30423817349613147 2.6238410723404986E-003
Bq 3.1322437109352412 0.59124162868992747 -0.59124162868992747 3.5567874970443779E-003
Bq 1.4258029251446851 2.1220201597034314 -0.28515823836269244 -1.5467199100728250E-003
Bq 2.2570253525055533 1.8239334809653458 -0.30423817349613147 -4.1412350956612835E-004
Bq 1.4448828602781241 1.8239334809653458 -1.1163806657235611 -1.6440971126224211E-003
Bq 1.7318863154719202 1.9915990241532484 -0.59124162868992747 -1.4377044442335026E-003
Bq 2.6040402458669414 0.61850373911635070 -1.4633955590849486 8.3964599561572569E-004
Bq 2.6040402458669414 1.4633955590849486 -0.61850373911635070 8.3964599447968933E-004
Bq 1.7591484258983434 1.4633955590849486 -1.4633955590849486 -1.4896537727304040E-003
Bq 2.3877212682315849 1.2470765814495925 -1.2470765814495925 -2.4235974970060944E-005
Bq 0.85548644841930033 0.28515823836269244 -2.1220201597034314 -1.0930783536350329E-003
Bq 0.83640651328586113 1.1163806657235609 -1.8239334809653458 -1.0581519879866840E-003
Bq 2.4264021058431506E-002 0.30423817349613147 -1.8239334809653458 1.1090637853557758E-003
Bq 0.54940305809206513 0.59124162868992747 -1.9915990241532484 -4.2722960362912509E-004
Bq 0.85548644841930033 2.1220201597034314 -0.28515823836269244 -1.0930783585898370E-003
Bq 0.83640651328586113 1.8239334809653458 -1.1163806657235609 -1.0581519904446640E-003
Bq 2.4264021058431506E-002 1.8239334809653458 -0.30423817349613147 1.1090637834820487E-003
Bq 0.54940305809206513 1.9915990241532484 -0.59124162868992747 -4.2722960705452069E-004
Bq 0.52214094766564201 1.4633955590849486 -1.4633955590849486 -2.3803299368908750E-004
Bq -0.10643189466759982 1.2470765814495925 -1.2470765814495925 8.5116361474003500E-006
Bq 0.85548644841930033 -0.28515823836269244 -2.1220201597034314 -1.0930783529030411E-003
Bq 2.4264021058431742E-002 -0.30423817349613147 -1.8239334809653458 1.1090637849908037E-003
Bq 0.83640651328586113 -1.1163806657235611 -1.8239334809653458 -1.0581519827069343E-003
Bq 0.54940305809206513 -0.59124162868992747 -1.9915990241532484 -4.2722960233777921E-004
Bq 0.85548644841930033 -2.1220201597034314 -0.28515823836269244 -1.0930783382365496E-003
Bq 2.4264021058431742E-002 -1.8239334809653458 -0.30423817349613147 1.1090637879828025E-003
Bq 0.83640651328586113 -1.8239334809653458 -1.1163806657235611 -1.0581519755328925E-003
Bq 0.54940305809206513 -1.9915990241532484 -0.59124162868992747 -4.2722959080803747E-004
Bq 0.52214094766564201 -1.4633955590849486 -1.4633955590849486 -2.3803298590222930E-004
Bq -0.10643189466759982 -1.2470765814495925 -1.2470765814495925 8.5116361478365212E-006
Bq 1.4258029251446851 -0.28515823836269244 -2.1220201597034314 -1.5467199047342140E-003
Bq 1.4448828602781241 -1.1163806657235609 -1.8239334809653458 -1.6440971051573940E-003
Bq 2.2570253525055537 -0.30423817349613147 -1.8239334809653458 -4.1412350667066101E-004
Bq 1.7318863154719202 -0.59124162868992747 -1.9915990241532484 -1.4377044392389713E-003
Bq 1.4258029251446851 -2.1220201597034314 -0.28515823836269244 -1.5467198901742186E-003
Bq 1.4448828602781241 -1.8239334809653458 -1.1163806657235609 -1.6440970980426076E-003
Bq 2.2570253525055537 -1.8239334809653458 -0.30423817349613147 -4.1412349683693695E-004
Bq 1.7318863154719202 -1.9915990241532484 -0.59124162868992747 -1.4377044274838753E-003
Bq 3.2626648464854244 -0.28515823836269244 -0.28515823836269244 4.2837316369926104E-003
Bq 2.9645781677473382 -1.1163806657235609 -0.30423817349613147 2.6238410752950189E-003
Bq 2.9645781677473382 -0.30423817349613147 -1.1163806657235611 2.6238410728363967E-003
Bq 3.1322437109352412 -0.59124162868992747 -0.59124162868992747 3.5567874973951997E-003
Bq 1.7591484258983434 -1.4633955590849486 -1.4633955590849486 -1.4896537643087110E-003
Bq 2.6040402458669414 -1.4633955590849486 -0.61850373911635070 8.3964600150487412E-004
Bq 2.6040402458669414 -0.61850373911635070 -1.4633955590849486 8.3964599672352129E-004
Bq 2.3877212682315849 -1.2470765814495925 -1.2470765814495925 -2.4235969815791043E-005