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=80168 datafilename=mo_orbital_nwchemarrows-2025-2-10-20-15-188161.out-346432-2025-2-11-6:37:2
128
cosmo charges (= -Bq-charge) (coordinates in Angstrom) format: Bq x y z q
Bq 0.29347535364827088 0.29347535364827088 2.1839124143614477 7.0473390917484393E-003
Bq 1.1489417684738310 0.31311178688976860 1.8771315408268345 7.8034734938684574E-003
Bq 0.31311178688976860 1.1489417684738312 1.8771315408268345 7.8034734938684540E-003
Bq 0.60848617619338352 0.60848617619338352 2.0496873290243842 7.5130413421591012E-003
Bq 2.1839124143614477 0.29347535364827088 0.29347535364827088 7.0473390917483595E-003
Bq 1.8771315408268345 0.31311178688976860 1.1489417684738310 7.8034734938684253E-003
Bq 1.8771315408268345 1.1489417684738312 0.31311178688976860 7.8034734938684323E-003
Bq 2.0496873290243842 0.60848617619338352 0.60848617619338352 7.5130413421591307E-003
Bq 0.29347535364827088 2.1839124143614477 0.29347535364827088 7.0473390917484072E-003
Bq 1.1489417684738310 1.8771315408268345 0.31311178688976860 7.8034734938684696E-003
Bq 0.31311178688976860 1.8771315408268345 1.1489417684738312 7.8034734938684609E-003
Bq 0.60848617619338352 2.0496873290243842 0.60848617619338352 7.5130413421590761E-003
Bq 1.5060779295582591 0.63654343150724413 1.5060779295582591 8.1509402591013937E-003
Bq 1.5060779295582591 1.5060779295582591 0.63654343150724413 8.1509402591014007E-003
Bq 0.63654343150724413 1.5060779295582591 1.5060779295582591 8.1509402591013816E-003
Bq 1.2834496484085385 1.2834496484085385 1.2834496484085385 8.4508092336914274E-003
Bq -0.29347535364827088 0.29347535364827088 2.1839124143614477 7.0473390917484358E-003
Bq -0.31311178688976860 1.1489417684738310 1.8771315408268345 7.8034734938684236E-003
Bq -1.1489417684738312 0.31311178688976860 1.8771315408268345 7.8034734938684461E-003
Bq -0.60848617619338352 0.60848617619338352 2.0496873290243842 7.5130413421590743E-003
Bq -0.29347535364827088 2.1839124143614477 0.29347535364827088 7.0473390917483829E-003
Bq -0.31311178688976860 1.8771315408268345 1.1489417684738310 7.8034734938684357E-003
Bq -1.1489417684738312 1.8771315408268345 0.31311178688976860 7.8034734938684479E-003
Bq -0.60848617619338352 2.0496873290243842 0.60848617619338352 7.5130413421590830E-003
Bq -2.1839124143614477 0.29347535364827088 0.29347535364827088 7.0473390917484236E-003
Bq -1.8771315408268345 1.1489417684738310 0.31311178688976860 7.8034734938685207E-003
Bq -1.8771315408268345 0.31311178688976860 1.1489417684738312 7.8034734938685164E-003
Bq -2.0496873290243842 0.60848617619338352 0.60848617619338352 7.5130413421591255E-003
Bq -0.63654343150724413 1.5060779295582591 1.5060779295582591 8.1509402591014874E-003
Bq -1.5060779295582591 1.5060779295582591 0.63654343150724413 8.1509402591014631E-003
Bq -1.5060779295582591 0.63654343150724413 1.5060779295582591 8.1509402591014232E-003
Bq -1.2834496484085385 1.2834496484085385 1.2834496484085385 8.4508092336914777E-003
Bq -0.29347535364827088 -0.29347535364827088 2.1839124143614477 7.0473390917484393E-003
Bq -1.1489417684738310 -0.31311178688976860 1.8771315408268345 7.8034734938684288E-003
Bq -0.31311178688976860 -1.1489417684738312 1.8771315408268345 7.8034734938684115E-003
Bq -0.60848617619338352 -0.60848617619338352 2.0496873290243842 7.5130413421590717E-003
Bq -2.1839124143614477 -0.29347535364827088 0.29347535364827088 7.0473390917484202E-003
Bq -1.8771315408268345 -0.31311178688976860 1.1489417684738310 7.8034734938685129E-003
Bq -1.8771315408268345 -1.1489417684738312 0.31311178688976860 7.8034734938684886E-003
Bq -2.0496873290243842 -0.60848617619338352 0.60848617619338352 7.5130413421591082E-003
Bq -0.29347535364827088 -2.1839124143614477 0.29347535364827088 7.0473390917484289E-003
Bq -1.1489417684738310 -1.8771315408268345 0.31311178688976860 7.8034734938684852E-003
Bq -0.31311178688976860 -1.8771315408268345 1.1489417684738312 7.8034734938684713E-003
Bq -0.60848617619338352 -2.0496873290243842 0.60848617619338352 7.5130413421591246E-003
Bq -1.5060779295582591 -0.63654343150724413 1.5060779295582591 8.1509402591014232E-003
Bq -1.5060779295582591 -1.5060779295582591 0.63654343150724413 8.1509402591015499E-003
Bq -0.63654343150724413 -1.5060779295582591 1.5060779295582591 8.1509402591014544E-003
Bq -1.2834496484085385 -1.2834496484085385 1.2834496484085385 8.4508092336914465E-003
Bq 0.29347535364827088 -0.29347535364827088 2.1839124143614477 7.0473390917484566E-003
Bq 0.31311178688976860 -1.1489417684738310 1.8771315408268345 7.8034734938684201E-003
Bq 1.1489417684738312 -0.31311178688976860 1.8771315408268345 7.8034734938684574E-003
Bq 0.60848617619338352 -0.60848617619338352 2.0496873290243842 7.5130413421590891E-003
Bq 0.29347535364827088 -2.1839124143614477 0.29347535364827088 7.0473390917484124E-003
Bq 0.31311178688976860 -1.8771315408268345 1.1489417684738310 7.8034734938684921E-003
Bq 1.1489417684738312 -1.8771315408268345 0.31311178688976860 7.8034734938684661E-003
Bq 0.60848617619338352 -2.0496873290243842 0.60848617619338352 7.5130413421590639E-003
Bq 2.1839124143614477 -0.29347535364827088 0.29347535364827088 7.0473390917483647E-003
Bq 1.8771315408268345 -1.1489417684738310 0.31311178688976860 7.8034734938684505E-003
Bq 1.8771315408268345 -0.31311178688976860 1.1489417684738312 7.8034734938684461E-003
Bq 2.0496873290243842 -0.60848617619338352 0.60848617619338352 7.5130413421591177E-003
Bq 0.63654343150724413 -1.5060779295582591 1.5060779295582591 8.1509402591013903E-003
Bq 1.5060779295582591 -1.5060779295582591 0.63654343150724413 8.1509402591014510E-003
Bq 1.5060779295582591 -0.63654343150724413 1.5060779295582591 8.1509402591013851E-003
Bq 1.2834496484085385 -1.2834496484085385 1.2834496484085385 8.4508092336914500E-003
Bq 0.29347535364827088 0.29347535364827088 -2.1839124143614477 7.0473390917484228E-003
Bq 1.1489417684738310 0.31311178688976860 -1.8771315408268345 7.8034734938684696E-003
Bq 0.31311178688976860 1.1489417684738312 -1.8771315408268345 7.8034734938685025E-003
Bq 0.60848617619338352 0.60848617619338352 -2.0496873290243842 7.5130413421590700E-003
Bq 2.1839124143614477 0.29347535364827088 -0.29347535364827088 7.0473390917483759E-003
Bq 1.8771315408268345 0.31311178688976860 -1.1489417684738310 7.8034734938684505E-003
Bq 1.8771315408268345 1.1489417684738312 -0.31311178688976860 7.8034734938684409E-003
Bq 2.0496873290243842 0.60848617619338352 -0.60848617619338352 7.5130413421591290E-003
Bq 0.29347535364827088 2.1839124143614477 -0.29347535364827088 7.0473390917483933E-003
Bq 1.1489417684738310 1.8771315408268345 -0.31311178688976860 7.8034734938684748E-003
Bq 0.31311178688976860 1.8771315408268345 -1.1489417684738312 7.8034734938684461E-003
Bq 0.60848617619338352 2.0496873290243842 -0.60848617619338352 7.5130413421590691E-003
Bq 1.5060779295582591 0.63654343150724413 -1.5060779295582591 8.1509402591014128E-003
Bq 1.5060779295582591 1.5060779295582591 -0.63654343150724413 8.1509402591013955E-003
Bq 0.63654343150724413 1.5060779295582591 -1.5060779295582591 8.1509402591013937E-003
Bq 1.2834496484085385 1.2834496484085385 -1.2834496484085385 8.4508092336914534E-003
Bq -0.29347535364827088 0.29347535364827088 -2.1839124143614477 7.0473390917483959E-003
Bq -0.31311178688976860 1.1489417684738310 -1.8771315408268345 7.8034734938684713E-003
Bq -1.1489417684738312 0.31311178688976860 -1.8771315408268345 7.8034734938684956E-003
Bq -0.60848617619338352 0.60848617619338352 -2.0496873290243842 7.5130413421591498E-003
Bq -0.29347535364827088 2.1839124143614477 -0.29347535364827088 7.0473390917483777E-003
Bq -0.31311178688976860 1.8771315408268345 -1.1489417684738310 7.8034734938684201E-003
Bq -1.1489417684738312 1.8771315408268345 -0.31311178688976860 7.8034734938684496E-003
Bq -0.60848617619338352 2.0496873290243842 -0.60848617619338352 7.5130413421590917E-003
Bq -2.1839124143614477 0.29347535364827088 -0.29347535364827088 7.0473390917484098E-003
Bq -1.8771315408268345 1.1489417684738310 -0.31311178688976860 7.8034734938685112E-003
Bq -1.8771315408268345 0.31311178688976860 -1.1489417684738312 7.8034734938685277E-003
Bq -2.0496873290243842 0.60848617619338352 -0.60848617619338352 7.5130413421591186E-003
Bq -0.63654343150724413 1.5060779295582591 -1.5060779295582591 8.1509402591014544E-003
Bq -1.5060779295582591 1.5060779295582591 -0.63654343150724413 8.1509402591014579E-003
Bq -1.5060779295582591 0.63654343150724413 -1.5060779295582591 8.1509402591014996E-003
Bq -1.2834496484085385 1.2834496484085385 -1.2834496484085385 8.4508092336914430E-003
Bq -0.29347535364827088 -0.29347535364827088 -2.1839124143614477 7.0473390917483890E-003
Bq -1.1489417684738310 -0.31311178688976860 -1.8771315408268345 7.8034734938684869E-003
Bq -0.31311178688976860 -1.1489417684738312 -1.8771315408268345 7.8034734938685112E-003
Bq -0.60848617619338352 -0.60848617619338352 -2.0496873290243842 7.5130413421591645E-003
Bq -2.1839124143614477 -0.29347535364827088 -0.29347535364827088 7.0473390917484566E-003
Bq -1.8771315408268345 -0.31311178688976860 -1.1489417684738310 7.8034734938685242E-003
Bq -1.8771315408268345 -1.1489417684738312 -0.31311178688976860 7.8034734938684956E-003
Bq -2.0496873290243842 -0.60848617619338352 -0.60848617619338352 7.5130413421591255E-003
Bq -0.29347535364827088 -2.1839124143614477 -0.29347535364827088 7.0473390917484557E-003
Bq -1.1489417684738310 -1.8771315408268345 -0.31311178688976860 7.8034734938685164E-003
Bq -0.31311178688976860 -1.8771315408268345 -1.1489417684738312 7.8034734938685311E-003
Bq -0.60848617619338352 -2.0496873290243842 -0.60848617619338352 7.5130413421591359E-003
Bq -1.5060779295582591 -0.63654343150724413 -1.5060779295582591 8.1509402591014839E-003
Bq -1.5060779295582591 -1.5060779295582591 -0.63654343150724413 8.1509402591015030E-003
Bq -0.63654343150724413 -1.5060779295582591 -1.5060779295582591 8.1509402591014666E-003
Bq -1.2834496484085385 -1.2834496484085385 -1.2834496484085385 8.4508092336914743E-003
Bq 0.29347535364827088 -0.29347535364827088 -2.1839124143614477 7.0473390917484158E-003
Bq 0.31311178688976860 -1.1489417684738310 -1.8771315408268345 7.8034734938684696E-003
Bq 1.1489417684738312 -0.31311178688976860 -1.8771315408268345 7.8034734938684817E-003
Bq 0.60848617619338352 -0.60848617619338352 -2.0496873290243842 7.5130413421590561E-003
Bq 0.29347535364827088 -2.1839124143614477 -0.29347535364827088 7.0473390917483976E-003
Bq 0.31311178688976860 -1.8771315408268345 -1.1489417684738310 7.8034734938684834E-003
Bq 1.1489417684738312 -1.8771315408268345 -0.31311178688976860 7.8034734938684626E-003
Bq 0.60848617619338352 -2.0496873290243842 -0.60848617619338352 7.5130413421590414E-003
Bq 2.1839124143614477 -0.29347535364827088 -0.29347535364827088 7.0473390917483647E-003
Bq 1.8771315408268345 -1.1489417684738310 -0.31311178688976860 7.8034734938684427E-003
Bq 1.8771315408268345 -0.31311178688976860 -1.1489417684738312 7.8034734938684540E-003
Bq 2.0496873290243842 -0.60848617619338352 -0.60848617619338352 7.5130413421591021E-003
Bq 0.63654343150724413 -1.5060779295582591 -1.5060779295582591 8.1509402591013608E-003
Bq 1.5060779295582591 -1.5060779295582591 -0.63654343150724413 8.1509402591014492E-003
Bq 1.5060779295582591 -0.63654343150724413 -1.5060779295582591 8.1509402591013989E-003
Bq 1.2834496484085385 -1.2834496484085385 -1.2834496484085385 8.4508092336914413E-003