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=78574 datafilename=dft-pbe-179807.cosmo.xyz-370416-2023-11-2-6:37:44
128
cosmo charges (= -Bq-charge) (coordinates in Angstrom) format: Bq x y z q
Bq 0.29347535364827088 0.29347535364827088 2.1839124143614477 1.13277135694894848E-004
Bq 1.1489417684738310 0.31311178688976860 1.8771315408268345 3.80767263871067881E-005
Bq 0.31311178688976860 1.1489417684738312 1.8771315408268345 1.17626323983411471E-004
Bq 0.60848617619338352 0.60848617619338352 2.0496873290243842 9.45447939439818691E-005
Bq 2.1839124143614477 0.29347535364827088 0.29347535364827088 -1.86060548166199326E-004
Bq 1.8771315408268345 0.31311178688976860 1.1489417684738310 -1.33451321720626898E-004
Bq 1.8771315408268345 1.1489417684738312 0.31311178688976860 -1.49112589714232272E-004
Bq 2.0496873290243842 0.60848617619338352 0.60848617619338352 -1.66345480544525837E-004
Bq 0.29347535364827088 2.1839124143614477 0.29347535364827088 6.66437811121035927E-005
Bq 1.1489417684738310 1.8771315408268345 0.31311178688976860 -4.29051179343024419E-006
Bq 0.31311178688976860 1.8771315408268345 1.1489417684738312 9.09261797397399813E-005
Bq 0.60848617619338352 2.0496873290243842 0.60848617619338352 5.36575063754610374E-005
Bq 1.5060779295582591 0.63654343150724413 1.5060779295582591 -4.30559397960274105E-005
Bq 1.5060779295582591 1.5060779295582591 0.63654343150724413 -6.65729738082678006E-005
Bq 0.63654343150724413 1.5060779295582591 1.5060779295582591 8.05373669427701059E-005
Bq 1.2834496484085385 1.2834496484085385 1.2834496484085385 -1.25528471233745091E-005
Bq -0.29347535364827088 0.29347535364827088 2.1839124143614477 1.14965087475852945E-004
Bq -0.31311178688976860 1.1489417684738310 1.8771315408268345 1.21031768413012989E-004
Bq -1.1489417684738312 0.31311178688976860 1.8771315408268345 4.61673570456748729E-005
Bq -0.60848617619338352 0.60848617619338352 2.0496873290243842 1.00020035651838206E-004
Bq -0.29347535364827088 2.1839124143614477 0.29347535364827088 6.89240487631388239E-005
Bq -0.31311178688976860 1.8771315408268345 1.1489417684738310 9.46318008555469540E-005
Bq -1.1489417684738312 1.8771315408268345 0.31311178688976860 6.03119715137061450E-006
Bq -0.60848617619338352 2.0496873290243842 0.60848617619338352 6.01408682782774397E-005
Bq -2.1839124143614477 0.29347535364827088 0.29347535364827088 -1.82371791849869223E-004
Bq -1.8771315408268345 1.1489417684738310 0.31311178688976860 -1.38108293030821951E-004
Bq -1.8771315408268345 0.31311178688976860 1.1489417684738312 -1.24373156090274085E-004
Bq -2.0496873290243842 0.60848617619338352 0.60848617619338352 -1.57472519119675495E-004
Bq -0.63654343150724413 1.5060779295582591 1.5060779295582591 8.82952418844942804E-005
Bq -1.5060779295582591 1.5060779295582591 0.63654343150724413 -5.33391332875731431E-005
Bq -1.5060779295582591 0.63654343150724413 1.5060779295582591 -3.14267613609035088E-005
Bq -1.2834496484085385 1.2834496484085385 1.2834496484085385 1.49199866908090817E-006
Bq -0.29347535364827088 -0.29347535364827088 2.1839124143614477 1.17633847098334068E-004
Bq -1.1489417684738310 -0.31311178688976860 1.8771315408268345 4.79491126537046880E-005
Bq -0.31311178688976860 -1.1489417684738312 1.8771315408268345 1.31383415486963898E-004
Bq -0.60848617619338352 -0.60848617619338352 2.0496873290243842 1.05005076217779404E-004
Bq -2.1839124143614477 -0.29347535364827088 0.29347535364827088 -1.84352903338852112E-004
Bq -1.8771315408268345 -0.31311178688976860 1.1489417684738310 -1.24960176549405381E-004
Bq -1.8771315408268345 -1.1489417684738312 0.31311178688976860 -1.45322634576265804E-004
Bq -2.0496873290243842 -0.60848617619338352 0.60848617619338352 -1.60425005905867385E-004
Bq -0.29347535364827088 -2.1839124143614477 0.29347535364827088 6.94866615915015859E-005
Bq -1.1489417684738310 -1.8771315408268345 0.31311178688976860 8.78473449359871392E-008
Bq -0.31311178688976860 -1.8771315408268345 1.1489417684738312 1.03907401259783030E-004
Bq -0.60848617619338352 -2.0496873290243842 0.60848617619338352 6.15957767200423509E-005
Bq -1.5060779295582591 -0.63654343150724413 1.5060779295582591 -3.01276683855941127E-005
Bq -1.5060779295582591 -1.5060779295582591 0.63654343150724413 -5.75860448890595518E-005
Bq -0.63654343150724413 -1.5060779295582591 1.5060779295582591 9.67164347484479625E-005
Bq -1.2834496484085385 -1.2834496484085385 1.2834496484085385 3.84175737401181438E-006
Bq 0.29347535364827088 -0.29347535364827088 2.1839124143614477 1.16234414661741845E-004
Bq 0.31311178688976860 -1.1489417684738310 1.8771315408268345 1.31107658852933464E-004
Bq 1.1489417684738312 -0.31311178688976860 1.8771315408268345 4.29816431006869415E-005
Bq 0.60848617619338352 -0.60848617619338352 2.0496873290243842 1.03064112012739282E-004
Bq 0.29347535364827088 -2.1839124143614477 0.29347535364827088 7.15612786702463717E-005
Bq 0.31311178688976860 -1.8771315408268345 1.1489417684738310 1.05399529437324641E-004
Bq 1.1489417684738312 -1.8771315408268345 0.31311178688976860 8.19260276676836328E-006
Bq 0.60848617619338352 -2.0496873290243842 0.60848617619338352 6.55781136617551393E-005
Bq 2.1839124143614477 -0.29347535364827088 0.29347535364827088 -1.83732862454701523E-004
Bq 1.8771315408268345 -1.1489417684738310 0.31311178688976860 -1.37987773031137344E-004
Bq 1.8771315408268345 -0.31311178688976860 1.1489417684738312 -1.28877313007310751E-004
Bq 2.0496873290243842 -0.60848617619338352 0.60848617619338352 -1.58915298446226586E-004
Bq 0.63654343150724413 -1.5060779295582591 1.5060779295582591 9.80439219421870860E-005
Bq 1.5060779295582591 -1.5060779295582591 0.63654343150724413 -5.07636273463978543E-005
Bq 1.5060779295582591 -0.63654343150724413 1.5060779295582591 -3.27066105577245109E-005
Bq 1.2834496484085385 -1.2834496484085385 1.2834496484085385 6.24293505752168631E-006
Bq 0.29347535364827088 0.29347535364827088 -2.1839124143614477 1.17707398234257138E-004
Bq 1.1489417684738310 0.31311178688976860 -1.8771315408268345 4.80270364270186004E-005
Bq 0.31311178688976860 1.1489417684738312 -1.8771315408268345 1.31502353554966637E-004
Bq 0.60848617619338352 0.60848617619338352 -2.0496873290243842 1.05097237644695752E-004
Bq 2.1839124143614477 0.29347535364827088 -0.29347535364827088 -1.84344840947244046E-004
Bq 1.8771315408268345 0.31311178688976860 -1.1489417684738310 -1.24913275570779589E-004
Bq 1.8771315408268345 1.1489417684738312 -0.31311178688976860 -1.45269268189749062E-004
Bq 2.0496873290243842 0.60848617619338352 -0.60848617619338352 -1.60385612888499395E-004
Bq 0.29347535364827088 2.1839124143614477 -0.29347535364827088 6.95718676248409249E-005
Bq 1.1489417684738310 1.8771315408268345 -0.31311178688976860 1.77655383064153215E-007
Bq 0.31311178688976860 1.8771315408268345 -1.1489417684738312 1.04031918738149056E-004
Bq 0.60848617619338352 2.0496873290243842 -0.60848617619338352 6.16974229979532900E-005
Bq 1.5060779295582591 0.63654343150724413 -1.5060779295582591 -3.00452384577246570E-005
Bq 1.5060779295582591 1.5060779295582591 -0.63654343150724413 -5.74969007102000957E-005
Bq 0.63654343150724413 1.5060779295582591 -1.5060779295582591 9.68420752984410312E-005
Bq 1.2834496484085385 1.2834496484085385 -1.2834496484085385 3.95828350403837584E-006
Bq -0.29347535364827088 0.29347535364827088 -2.1839124143614477 1.16310114134941911E-004
Bq -0.31311178688976860 1.1489417684738310 -1.8771315408268345 1.31229700171260285E-004
Bq -1.1489417684738312 0.31311178688976860 -1.8771315408268345 4.30713778644513796E-005
Bq -0.60848617619338352 0.60848617619338352 -2.0496873290243842 1.03162156722054238E-004
Bq -0.29347535364827088 2.1839124143614477 -0.29347535364827088 7.16487030342305247E-005
Bq -0.31311178688976860 1.8771315408268345 -1.1489417684738310 1.05527195183617635E-004
Bq -1.1489417684738312 1.8771315408268345 -0.31311178688976860 8.29446239801552964E-006
Bq -0.60848617619338352 2.0496873290243842 -0.60848617619338352 6.56857768607738764E-005
Bq -2.1839124143614477 0.29347535364827088 -0.29347535364827088 -1.83702887185784443E-004
Bq -1.8771315408268345 1.1489417684738310 -0.31311178688976860 -1.37912447664440799E-004
Bq -1.8771315408268345 0.31311178688976860 -1.1489417684738312 -1.28808592809171710E-004
Bq -2.0496873290243842 0.60848617619338352 -0.60848617619338352 -1.58853733726579635E-004
Bq -0.63654343150724413 1.5060779295582591 -1.5060779295582591 9.81765692398285357E-005
Bq -1.5060779295582591 1.5060779295582591 -0.63654343150724413 -5.06571490130937408E-005
Bq -1.5060779295582591 0.63654343150724413 -1.5060779295582591 -3.26070173436978633E-005
Bq -1.2834496484085385 1.2834496484085385 -1.2834496484085385 6.37547880994647704E-006
Bq -0.29347535364827088 -0.29347535364827088 -2.1839124143614477 1.13332487020156291E-004
Bq -1.1489417684738310 -0.31311178688976860 -1.8771315408268345 3.81374209254235085E-005
Bq -0.31311178688976860 -1.1489417684738312 -1.8771315408268345 1.17645690762048854E-004
Bq -0.60848617619338352 -0.60848617619338352 -2.0496873290243842 9.45885190525577534E-005
Bq -2.1839124143614477 -0.29347535364827088 -0.29347535364827088 -1.86051409840365270E-004
Bq -1.8771315408268345 -0.31311178688976860 -1.1489417684738310 -1.33411956130464543E-004
Bq -1.8771315408268345 -1.1489417684738312 -0.31311178688976860 -1.49141618249588339E-004
Bq -2.0496873290243842 -0.60848617619338352 -0.60848617619338352 -1.66339168599326931E-004
Bq -0.29347535364827088 -2.1839124143614477 -0.29347535364827088 6.65756188323643992E-005
Bq -1.1489417684738310 -1.8771315408268345 -0.31311178688976860 -4.35608294876153013E-006
Bq -0.31311178688976860 -1.8771315408268345 -1.1489417684738312 9.08873892067331662E-005
Bq -0.60848617619338352 -2.0496873290243842 -0.60848617619338352 5.36012653455930835E-005
Bq -1.5060779295582591 -0.63654343150724413 -1.5060779295582591 -4.30206492237096279E-005
Bq -1.5060779295582591 -1.5060779295582591 -0.63654343150724413 -6.66086382363158041E-005
Bq -0.63654343150724413 -1.5060779295582591 -1.5060779295582591 8.05290636493068818E-005
Bq -1.2834496484085385 -1.2834496484085385 -1.2834496484085385 -1.25563463709157695E-005
Bq 0.29347535364827088 -0.29347535364827088 -2.1839124143614477 1.15018288445651386E-004
Bq 0.31311178688976860 -1.1489417684738310 -1.8771315408268345 1.21048014862480831E-004
Bq 1.1489417684738312 -0.31311178688976860 -1.8771315408268345 4.62162235117157607E-005
Bq 0.60848617619338352 -0.60848617619338352 -2.0496873290243842 1.00057857290907840E-004
Bq 0.29347535364827088 -2.1839124143614477 -0.29347535364827088 6.88536661379663745E-005
Bq 0.31311178688976860 -1.8771315408268345 -1.1489417684738310 9.45898449763877809E-005
Bq 1.1489417684738312 -1.8771315408268345 -0.31311178688976860 5.95355731559282429E-006
Bq 0.60848617619338352 -2.0496873290243842 -0.60848617619338352 6.00785901371058252E-005
Bq 2.1839124143614477 -0.29347535364827088 -0.29347535364827088 -1.82384568420762859E-004
Bq 1.8771315408268345 -1.1489417684738310 -0.31311178688976860 -1.38159297641254311E-004
Bq 1.8771315408268345 -0.31311178688976860 -1.1489417684738312 -1.24355626820901917E-004
Bq 2.0496873290243842 -0.60848617619338352 -0.60848617619338352 -1.57488399082836934E-004
Bq 0.63654343150724413 -1.5060779295582591 -1.5060779295582591 8.82798933109143216E-005
Bq 1.5060779295582591 -1.5060779295582591 -0.63654343150724413 -5.33921704203584008E-005
Bq 1.5060779295582591 -0.63654343150724413 -1.5060779295582591 -3.14086726198240770E-005
Bq 1.2834496484085385 -1.2834496484085385 -1.2834496484085385 1.47242137007968769E-006