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=52849 datafilename=cosmo.xyz-287203-2020-3-24-14:37:2
385
cosmo charges (= -Bq-charge) (coordinates in Angstrom) format: Bq x y z q
Bq -0.14237489123415875 0.27672031678676834 2.0591712367573347 1.9328734238628503E-003
Bq -0.12386028751208086 1.0833139314850926 1.7699167559077846 1.3971916661543802E-003
Bq 0.15463936160189892 0.57373456962282610 1.9326144311493789 1.7197808701986156E-003
Bq -0.69579310198249511 0.27672031678676834 2.0591712367573347 1.3297475794368444E-005
Bq -0.99280735481855276 0.57373456962282610 1.9326144311493789 2.3731502886185354E-003
Bq -2.4782294849131379 0.27672031678676834 0.27673485382669144 7.8541440090587101E-004
Bq -2.1889750040635887 0.29523492050884620 1.0833284685250157 2.1050707852622612E-003
Bq -2.3516726793051825 0.57373456962282610 0.57374910666274914 6.8320165625993651E-004
Bq -1.8391196872759437 0.60018891381439232 1.4200614391201400 4.7118324935351865E-004
Bq -2.4782294849131379 -0.27669789396156802 0.27673485382669144 9.8867336512608564E-004
Bq -0.12386028751208086 1.0833139314850926 -1.7698652590027382 1.8903269606526003E-003
Bq -0.12386028751208086 1.7699022188678617 -1.0832769716199691 3.0114717239992434E-004
Bq 0.18109370579346518 1.4200469020802169 -1.4200099422150934 1.7128021508469443E-003
Bq -2.4782294849131379 0.27672031678676834 -0.27668335692164492 7.4219411317073467E-004
Bq -2.3516726793051825 0.57373456962282610 -0.57369760975770256 1.4450545188730165E-003
Bq -1.0192616990101191 1.4200469020802169 -1.4200099422150934 2.1951669599070923E-003
Bq -1.6292101608297831 1.2101373756340565 -1.2101004157689330 1.4457689328953270E-003
Bq -2.4782294849131379 -0.27669789396156802 -0.27668335692164492 8.3164504611403186E-004
Bq -2.1889750040635887 -1.0832915086598922 -0.29519796064372283 2.1942628442125117E-003
Bq -2.3516726793051825 -0.57371214679762561 -0.57369760975770256 2.1000161276110290E-004
Bq -0.69579310198249511 -2.0591342768922112 -0.27668335692164492 1.6694281034553358E-003
Bq -1.5023867166808194 -1.7698797960426613 -0.29519796064372283 1.2680838837827472E-003
Bq -0.99280735481855276 -1.9325774712842554 -0.57369760975770256 1.2888816538742843E-003
Bq -0.14237489123415875 -2.0591342768922112 -0.27668335692164492 1.2908446983906528E-003
Bq 0.15463936160189892 -1.9325774712842554 -0.57369760975770256 1.6435331920745416E-003
Bq -0.78036998553488057 1.8783915932104147 2.0782748772891022 -1.5124068741058060E-003
Bq -0.10692588929343626 1.8938498739898215 1.8367694662744496 -1.4934970415440402E-003
Bq -0.76491170475547388 2.5518356894518597 1.8367694662744496 -5.1714232913161868E-005
Bq -0.53238575726050030 2.1263758214847948 1.9726096054313149 -1.3925649622398544E-003
Bq 0.70782833036618120 1.8783915932104147 0.59007656138804077 7.2053968576332944E-004
Bq 0.46632291935152848 1.8938498739898215 1.2635206576294851 -4.2937906976981290E-005
Bq 0.46632291935152848 2.5518356894518597 0.60553484216744746 -1.1063720077408336E-003
Bq 0.60216305850839369 2.1263758214847948 0.83806078966242092 -1.2963214138137877E-004
Bq -0.78036998553488057 3.3665899091114766 0.59007656138804077 2.6058972268215219E-003
Bq -0.10692588929343626 3.1250844980968240 0.60553484216744746 2.2503625887102294E-004
Bq -0.76491170475547388 3.1250844980968240 1.2635206576294853 2.1693172055417907E-003
Bq -0.53238575726050030 3.2609246372536891 0.83806078966242092 1.8364072616295392E-003
Bq 0.17422043634657705 2.1484631794691658 1.5446669832694984 -1.4033913135036605E-003
Bq 0.17422043634657705 2.8329820150918721 0.86014814764679171 -7.9754502949902842E-004
Bq -0.51029839927612963 2.8329820150918721 1.5446669832694984 4.5393389492149369E-004
Bq -1.0379946079940303E-003 2.6577235841373015 1.3694085523149271 -9.1587137279191383E-004
Bq -1.2424319458447985 1.8783915932104147 2.0782748772891022 -1.2292501732862726E-003
Bq -1.2578902266242054 2.5518356894518592 1.8367694662744496 8.2576539714144495E-004
Bq -1.9158760420862433 1.8938498739898215 1.8367694662744496 -7.5511003079931831E-004
Bq -1.4904161741191788 2.1263758214847948 1.9726096054313149 -4.0662578457722418E-004
Bq -1.2424319458447985 3.3665899091114766 0.59007656138804077 3.7969253678270514E-003
Bq -1.2578902266242054 3.1250844980968240 1.2635206576294851 3.4333155890949080E-003
Bq -1.9158760420862433 3.1250844980968240 0.60553484216744746 4.1586385242568568E-003
Bq -1.4904161741191788 3.2609246372536891 0.83806078966242092 4.2811771909855639E-003
Bq -2.7306302617458602 1.8783915932104147 0.59007656138804077 -7.9486144771673153E-004
Bq -2.4891248507312076 2.5518356894518592 0.60553484216744746 1.7838052992586275E-003
Bq -2.4891248507312076 1.8938498739898215 1.2635206576294853 -5.5042756122751697E-004
Bq -2.6249649898880731 2.1263758214847948 0.83806078966242092 1.5928694317193771E-004
Bq -1.5125035321035496 2.8329820150918721 1.5446669832694984 2.6389299068551196E-003
Bq -2.1970223677262561 2.8329820150918721 0.86014814764679171 3.3170433650965641E-003
Bq -2.1970223677262561 2.1484631794691658 1.5446669832694984 3.1162333346841989E-004
Bq -2.0217639367716851 2.6577235841373015 1.3694085523149271 2.5519173863454972E-003
Bq -1.2424319458447985 1.4163296329004968 2.0782748772891022 -1.5388914130871926E-003
Bq -1.9158760420862428 1.4008713521210900 1.8367694662744496 -1.6076304437537569E-003
Bq -1.2578902266242054 0.74288553665905210 1.8367694662744496 1.4041478979652619E-003
Bq -1.4904161741191788 1.1683454046261166 1.9726096054313149 -1.3362283173787019E-003
Bq -2.7306302617458602 1.4163296329004968 0.59007656138804077 -1.6358830842164794E-003
Bq -2.4891248507312076 1.4008713521210900 1.2635206576294851 -1.6335761006571546E-003
Bq -2.4891248507312076 0.74288553665905210 0.60553484216744746 -1.5341641392422738E-004
Bq -2.6249649898880731 1.1683454046261166 0.83806078966242092 -1.6737007690483152E-003
Bq -2.1970223677262561 1.1462580466417458 1.5446669832694984 -1.6355643826994959E-003
Bq -2.1970223677262561 0.46173921101903909 0.86014814764679171 2.2794882817990132E-004
Bq -2.0217639367716851 0.63699764197361020 1.3694085523149271 9.5930857932188503E-004
Bq -0.78036998553488057 1.4163296329004968 2.0782748772891022 -1.3561767285322937E-003
Bq -0.76491170475547388 0.74288553665905244 1.8367694662744496 1.1268718822039698E-004
Bq -0.10692588929343602 1.4008713521210900 1.8367694662744496 -7.7996932488462711E-005
Bq -0.53238575726050030 1.1683454046261166 1.9726096054313149 -5.8334947852227053E-005
Bq 0.46632291935152848 1.4008713521210900 1.2635206576294853 7.8335034291261002E-004
Bq 0.17422043634657705 1.1462580466417458 1.5446669832694984 1.4275318582485430E-004
Bq -0.78036998553488057 1.8783915932104147 -1.3601837148229392 -4.8768244433140308E-004
Bq -0.10692588929343626 1.8938498739898215 -1.1186783038082866 7.4807867901267909E-004
Bq -0.76491170475547388 2.5518356894518597 -1.1186783038082866 -1.7207889761533433E-003
Bq -0.53238575726050030 2.1263758214847948 -1.2545184429651519 -1.2114751340189061E-003
Bq 0.70782833036618120 1.8783915932104147 0.12801460107812251 4.9129472759048228E-005
Bq 0.46632291935152848 1.8938498739898215 -0.54542949516332173 2.0782395652865814E-003
Bq 0.46632291935152848 2.5518356894518597 0.11255632029871586 -1.0925520504649049E-003
Bq 0.60216305850839369 2.1263758214847948 -0.11996962719625766 7.9733715843257529E-004
Bq -0.78036998553488057 3.3665899091114766 0.12801460107812251 1.9486872221368093E-003
Bq -0.10692588929343626 3.1250844980968240 0.11255632029871586 -2.4352337195077613E-004
Bq -0.76491170475547388 3.1250844980968240 -0.54542949516332195 1.9616311895257034E-005
Bq -0.53238575726050030 3.2609246372536891 -0.11996962719625766 6.4838460980434396E-004
Bq 0.17422043634657705 2.1484631794691658 -0.82657582080333503 -3.3507321052006104E-004
Bq 0.17422043634657705 2.8329820150918721 -0.14205698518062840 -1.3059191657322901E-003
Bq -0.51029839927612963 2.8329820150918721 -0.82657582080333503 -1.3955088220844267E-003
Bq -1.0379946079940303E-003 2.6577235841373015 -0.65131738984876397 -1.6944210264498653E-003
Bq -1.2424319458447985 1.8783915932104147 -1.3601837148229392 -1.1064130114881016E-003
Bq -1.2578902266242054 2.5518356894518592 -1.1186783038082866 -1.4254507820568678E-003
Bq -1.9158760420862433 1.8938498739898215 -1.1186783038082866 -1.6179361595649799E-003
Bq -1.4904161741191788 2.1263758214847948 -1.2545184429651519 -1.6595505059375406E-003
Bq -1.2424319458447985 3.3665899091114766 0.12801460107812251 3.0538952758539612E-003
Bq -1.2578902266242054 3.1250844980968240 -0.54542949516332173 9.1979131082921609E-004
Bq -1.9158760420862433 3.1250844980968240 0.11255632029871586 3.3205912101940370E-003
Bq -1.4904161741191788 3.2609246372536891 -0.11996962719625766 2.7138793886042059E-003
Bq -2.7306302617458602 1.8783915932104147 0.12801460107812251 -1.0671134437096285E-003
Bq -2.4891248507312076 2.5518356894518592 0.11255632029871586 1.1487167220850640E-003
Bq -2.4891248507312076 1.8938498739898215 -0.54542949516332195 -1.5023807930317459E-003
Bq -2.6249649898880731 2.1263758214847948 -0.11996962719625766 -6.5149316317388072E-004
Bq -1.5125035321035496 2.8329820150918721 -0.82657582080333503 -1.7648074299955098E-004
Bq -2.1970223677262561 2.8329820150918721 -0.14205698518062840 1.8047644360236945E-003
Bq -2.1970223677262561 2.1484631794691658 -0.82657582080333503 -1.3661054064144395E-003
Bq -2.0217639367716851 2.6577235841373015 -0.65131738984876397 5.9639130685067486E-005
Bq -1.2424319458447985 1.4163296329004968 -1.3601837148229392 1.4749429540909470E-003
Bq -1.9158760420862428 1.4008713521210900 -1.1186783038082866 -1.5568540496739694E-004
Bq -1.4904161741191788 1.1683454046261166 -1.2545184429651519 2.0128635030068943E-004
Bq -2.7306302617458602 1.4163296329004968 0.12801460107812251 -1.6523136549666251E-003
Bq -2.4891248507312076 1.4008713521210900 -0.54542949516332173 -1.4473997702588806E-003
Bq -2.4891248507312076 0.74288553665905210 0.11255632029871586 5.9190227084909039E-004
Bq -2.6249649898880731 1.1683454046261166 -0.11996962719625766 -1.2810544270055217E-003
Bq -2.1970223677262561 1.1462580466417458 -0.82657582080333503 3.1189363239651785E-004
Bq -0.78036998553488057 1.4163296329004968 -1.3601837148229392 4.3904369684660507E-005
Bq -1.2424406920510698 1.2064862904248357 -1.3751434902842872 9.8623968787151379E-005
Bq -1.9158847882925141 0.96498087941018296 -1.3596852095048804 8.2121702374226559E-004
Bq -2.7306390079521310 -0.28171202547622609 -1.3751434902842872 -1.6529597376692760E-003
Bq -2.4891335969374788 0.39173207076521821 -1.3596852095048804 -1.3102984851801217E-003
Bq -2.4891335969374788 -0.26625374469681939 -0.70169939404284254 6.0348247935105496E-004
Bq -2.6249737360943444 -3.3727797201845891E-002 -1.1271592620099069 -1.2016393140052894E-003
Bq -2.1970311139325274 0.67287839640523150 -1.1050719040255361 1.0279124770908340E-003
Bq -2.7306390079521310 -0.74377398578614429 -1.3751434902842872 -1.6180355678804446E-003
Bq -2.4891335969374788 -0.75923226656555098 -0.70169939404284276 -3.9986545616528925E-004
Bq -2.4891335969374788 -1.4172180820275888 -1.3596852095048804 -1.5355950110351299E-003
Bq -2.6249737360943444 -0.99175821406052445 -1.1271592620099069 -1.7109164939409075E-003
Bq -1.2424406920510698 -2.2319723016872062 -1.3751434902842872 -1.6018729402164234E-003
Bq -1.9158847882925141 -1.9904668906725533 -1.3596852095048804 -1.5051795248262889E-003
Bq -1.2578989728304764 -1.9904668906725533 -0.70169939404284254 1.2273809117976486E-004
Bq -1.4904249203254498 -2.1263070298294187 -1.1271592620099069 -1.6047498372811161E-003
Bq -2.1970311139325274 -1.0138455720448951 -0.42055306840282947 8.7012998433474141E-004
Bq -2.1970311139325274 -1.6983644076676019 -1.1050719040255361 -1.6884805989156994E-003
Bq -1.5125122783098206 -1.6983644076676019 -0.42055306840282947 8.0942444357838094E-004
Bq -2.0217726829779563 -1.5231059767130308 -0.59581149935740052 1.1479609386482192E-004
Bq -0.78037873174115147 -2.2319723016872062 -1.3751434902842872 -1.5981945697253635E-003
Bq -0.76492045096174477 -1.9904668906725533 -0.70169939404284276 9.9645496257908819E-004
Bq -0.10693463549970701 -1.9904668906725533 -1.3596852095048804 -7.9876522985351404E-004
Bq -0.53239450346677131 -2.1263070298294187 -1.1271592620099069 -8.7674010010207624E-004
Bq 0.46631417314525747 -1.4172180820275884 -1.3596852095048804 2.0224611981934952E-003
Bq 0.17421169014030605 -1.6983644076676019 -1.1050719040255361 1.2954041045234383E-003
Bq -0.78037873174115147 -0.28171202547622609 -3.3254037664952669 1.5780709073703126E-003
Bq -0.10693463549970725 -0.26625374469681939 -3.0838983554806143 -4.6232345074395816E-004
Bq -0.76492045096174477 0.39173207076521843 -3.0838983554806143 -4.7215695353681694E-004
Bq -0.53239450346677131 -3.3727797201845891E-002 -3.2197384946374794 2.4742692537207213E-004
Bq 0.70781958415991020 -0.28171202547622609 -1.8372054505942053 3.4307713587570034E-006
Bq 0.46631417314525747 -0.26625374469681939 -2.5106495468356496 -1.0413104990927640E-003
Bq 0.46631417314525747 0.39173207076521843 -1.8526637313736121 8.7324535522843611E-004
Bq 0.60215431230212269 -3.3727797201845891E-002 -2.0851896788685855 1.2241713255423719E-003
Bq -0.78037873174115147 1.2064862904248357 -1.8372054505942053 4.7011875875208200E-004
Bq -0.10693463549970725 0.96498087941018296 -1.8526637313736121 1.0208126050459962E-003
Bq -0.76492045096174477 0.96498087941018296 -2.5106495468356500 -1.8268096950564668E-003
Bq -0.53239450346677131 1.1008210185670482 -2.0851896788685855 -7.2800167642106514E-004
Bq 0.17421169014030605 -1.1640439217475155E-002 -2.7917958724756624 -1.3930072961041992E-003
Bq 0.17421169014030605 0.67287839640523150 -2.1072770368529561 3.4522098345042844E-004
Bq -0.51030714548240064 0.67287839640523150 -2.7917958724756624 -1.6610754305239890E-003
Bq -1.0467408142650224E-003 0.49761996545066045 -2.6165374415210918 -1.6821792093805635E-003
Bq -1.2424406920510698 -0.28171202547622609 -3.3254037664952669 2.6306811687493354E-003
Bq -1.2578989728304764 0.39173207076521821 -3.0838983554806143 3.1786856260969431E-004
Bq -1.9158847882925141 -0.26625374469681939 -3.0838983554806143 2.9002912145079177E-003
Bq -1.4904249203254498 -3.3727797201845891E-002 -3.2197384946374794 2.1628137816556625E-003
Bq -1.2424406920510698 1.2064862904248357 -1.8372054505942053 -3.9722030807039070E-004
Bq -1.2578989728304764 0.96498087941018296 -2.5106495468356496 -1.6676863622066471E-003
Bq -1.9158847882925141 0.96498087941018296 -1.8526637313736121 -1.4464901644900385E-003
Bq -1.4904249203254498 1.1008210185670482 -2.0851896788685855 -1.5291906625295505E-003
Bq -2.7306390079521310 -0.28171202547622609 -1.8372054505942053 -1.1354514436603602E-003
Bq -2.4891335969374788 0.39173207076521821 -1.8526637313736121 -1.6177403010059956E-003
Bq -2.4891335969374788 -0.26625374469681939 -2.5106495468356500 9.0340676165457236E-004
Bq -2.6249737360943444 -3.3727797201845891E-002 -2.0851896788685855 -8.3566171662148245E-004
Bq -1.5125122783098206 0.67287839640523150 -2.7917958724756624 -7.0081473718219952E-004
Bq -2.1970311139325274 0.67287839640523150 -2.1072770368529561 -1.5655659127771467E-003
Bq -2.1970311139325274 -1.1640439217475155E-002 -2.7917958724756624 1.3480632319167398E-003
Bq -2.0217726829779563 0.49761996545066045 -2.6165374415210918 -4.3639771189313563E-004
Bq -1.2424406920510698 -0.74377398578614429 -3.3254037664952669 3.6598914590032609E-003
Bq -1.9158847882925141 -0.75923226656555098 -3.0838983554806143 4.0665101179921462E-003
Bq -1.2578989728304764 -1.4172180820275888 -3.0838983554806143 3.7990423380797078E-003
Bq -1.4904249203254498 -0.99175821406052445 -3.2197384946374794 4.3376503995627138E-003
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Bq -2.4891335969374788 -0.75923226656555098 -2.5106495468356496 1.7923377084539717E-003
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Bq 0.42956478209137566 0.30425340451386695 -1.8239176949496956 1.2836255682002692E-005
Bq 0.95470381912500935 0.59125685970766295 -1.9915832381375980 -8.8470411187555509E-004
Bq 1.2607872094522443 2.1220353907211669 -0.28514245234704200 -1.7780008919801625E-003
Bq 1.2417072743188053 1.8239487119830813 -1.1163648797079107 -1.7865432998587585E-003
Bq 0.95470381912500935 1.9916142551709839 -0.59122584267427702 -9.3572684722963129E-004
Bq 0.92744170869858611 1.4634107901026840 -1.4633797730692981 -7.3233411283483247E-004
Bq 1.2607872094522443 -0.28514300734495696 -2.1220043736877812 -1.7446163088846662E-003
Bq 1.2417072743188053 -1.1163654347058256 -1.8239176949496956 -1.8587744173156570E-003
Bq 0.95470381912500935 -0.59122639767219198 -1.9915832381375980 -5.3026617953603745E-004
Bq 1.2607872094522443 -2.1220049286856959 -0.28514245234704200 -1.5938089649247919E-003
Bq 0.42956478209137589 -1.8239182499476103 -0.30422238748048103 3.5277647399177656E-004
Bq 1.2417072743188053 -1.8239182499476103 -1.1163648797079109 -1.8089070174582232E-003
Bq 0.95470381912500935 -1.9915837931355129 -0.59122584267427702 -7.7175037900450126E-004
Bq 0.92744170869858611 -1.4633803280672131 -1.4633797730692981 -8.4737919692140539E-004
Bq 1.8311036861776291 -0.28514300734495696 -2.1220043736877812 -2.0425322112996936E-003
Bq 1.8501836213110683 -1.1163654347058254 -1.8239176949496956 -2.2084513805379811E-003
Bq 2.6623261135384979 -0.30422294247839599 -1.8239176949496956 -9.1331224915060369E-004
Bq 2.1371870765048642 -0.59122639767219198 -1.9915832381375980 -1.8790130197620845E-003
Bq 1.8311036861776291 -2.1220049286856959 -0.28514245234704200 -2.0746930043121486E-003
Bq 1.8501836213110683 -1.8239182499476103 -1.1163648797079107 -2.2394966385023930E-003
Bq 2.6623261135384979 -1.8239182499476103 -0.30422238748048103 -9.6945014715031847E-004
Bq 2.1371870765048642 -1.9915837931355129 -0.59122584267427702 -1.9594051613822197E-003
Bq 3.6679656075183686 -0.28514300734495696 -0.28514245234704200 3.1249396811031940E-003
Bq 3.3698789287802824 -1.1163654347058254 -0.30422238748048103 1.6942154198981523E-003
Bq 3.3698789287802824 -0.30422294247839599 -1.1163648797079109 1.7006783437780182E-003
Bq 3.5375444719681854 -0.59122639767219198 -0.59122584267427702 2.4957934433706593E-003
Bq 2.1644491869312876 -1.4633803280672131 -1.4633797730692981 -2.0125547268556904E-003
Bq 3.0093410068998852 -1.4633803280672131 -0.61848795310070026 1.3518127025765347E-004
Bq 3.0093410068998852 -0.61848850809861511 -1.4633797730692981 1.6189193075426579E-004
Bq 2.7930220292645291 -1.2470613504318568 -1.2470607954339421 -6.3447272061264623E-004