data = { 'AlCl.ezfio' : { 'HF energy' : -701.486212739723, 'ref_bitmask_energy' : -755.312629855180, 'mono_elec_ref_bitmask_energy' : -1079.87121227009, 'kinetic_ref_bitmask_energy' : 701.377822193310, 'nucl_elec_ref_bitmask_energy' : -1781.24903446340, 'bi_elec_ref_bitmask_energy' : 324.558582414906, }, 'Al.ezfio' : { 'HF energy' : -241.870298943774, 'ref_bitmask_energy' : -241.870298943774, 'mono_elec_ref_bitmask_energy' : -336.614628217434, 'kinetic_ref_bitmask_energy' : 241.815952671391, 'nucl_elec_ref_bitmask_energy' : -578.430580888825, 'bi_elec_ref_bitmask_energy' : 94.7443292736603, }, 'Al+.ezfio' : { 'HF energy' : -241.668466965679, 'ref_bitmask_energy' : -241.668466965679, 'mono_elec_ref_bitmask_energy' : -332.772273038286, 'kinetic_ref_bitmask_energy' : 241.538439712041, 'nucl_elec_ref_bitmask_energy' : -574.310712750327, 'bi_elec_ref_bitmask_energy' : 91.1038060726070, }, 'AlH2.ezfio' : { 'HF energy' : -243.025106255261, 'ref_bitmask_energy' : -251.775287621540, 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'nucl_elec_ref_bitmask_energy' : -1202.61822207732, 'bi_elec_ref_bitmask_energy' : 208.634536012604, }, 'BeCl.ezfio' : { 'HF energy' : -474.175524392804, 'ref_bitmask_energy' : -494.013471871717, 'mono_elec_ref_bitmask_energy' : -694.206298089924, 'kinetic_ref_bitmask_energy' : 474.107373536824, 'nucl_elec_ref_bitmask_energy' : -1168.31367162675, 'bi_elec_ref_bitmask_energy' : 200.192826218209, }, 'Be.ezfio' : { 'HF energy' : -14.5723630382958, 'ref_bitmask_energy' : -14.5723630382958, 'mono_elec_ref_bitmask_energy' : -19.0610729973639, 'kinetic_ref_bitmask_energy' : 14.5598902820587, 'nucl_elec_ref_bitmask_energy' : -33.6209632794226, 'bi_elec_ref_bitmask_energy' : 4.48870995906808, }, 'Be+.ezfio' : { 'HF energy' : -14.2756254917377, 'ref_bitmask_energy' : -14.2756254917377, 'mono_elec_ref_bitmask_energy' : -17.5960879449290, 'kinetic_ref_bitmask_energy' : 14.2137803182567, 'nucl_elec_ref_bitmask_energy' : -31.8098682631857, 'bi_elec_ref_bitmask_energy' : 3.32046245319132, }, 'BeF.ezfio' : { 'HF energy' : -114.115127776002, 'ref_bitmask_energy' : -128.025592152782, 'mono_elec_ref_bitmask_energy' : -186.690719589137, 'kinetic_ref_bitmask_energy' : 114.065127566283, 'nucl_elec_ref_bitmask_energy' : -300.755847155420, 'bi_elec_ref_bitmask_energy' : 58.6651274363546, }, 'BeH2.ezfio' : { 'HF energy' : -15.7673966130842, 'ref_bitmask_energy' : -19.1493564751143, 'mono_elec_ref_bitmask_energy' : -27.0671473403813, 'kinetic_ref_bitmask_energy' : 15.7475318691247, 'nucl_elec_ref_bitmask_energy' : -42.8146792095060, 'bi_elec_ref_bitmask_energy' : 7.91779086526707, }, 'BeH.ezfio' : { 'HF energy' : -15.1495257901350, 'ref_bitmask_energy' : -16.7181555485461, 'mono_elec_ref_bitmask_energy' : -22.7607653432252, 'kinetic_ref_bitmask_energy' : 15.1167688574809, 'nucl_elec_ref_bitmask_energy' : -37.8775342007061, 'bi_elec_ref_bitmask_energy' : 6.04260979467911, }, 'BeO.ezfio' : { 'HF energy' : -89.4119486183618, 'ref_bitmask_energy' : -102.164167887885, 'mono_elec_ref_bitmask_energy' : -149.177105810311, 'kinetic_ref_bitmask_energy' : 89.2203754253541, 'nucl_elec_ref_bitmask_energy' : -238.397481235665, 'bi_elec_ref_bitmask_energy' : 47.0129379224257, }, 'BeOH.ezfio' : { 'HF energy' : -90.1029484176649, 'ref_bitmask_energy' : -107.516431688788, 'mono_elec_ref_bitmask_energy' : -158.199370286786, 'kinetic_ref_bitmask_energy' : 89.9655049452054, 'nucl_elec_ref_bitmask_energy' : -248.164875231991, 'bi_elec_ref_bitmask_energy' : 50.6829385979978, }, 'BeS.ezfio' : { 'HF energy' : -412.126899432683, 'ref_bitmask_energy' : -431.477455903944, 'mono_elec_ref_bitmask_energy' : -608.492459507225, 'kinetic_ref_bitmask_energy' : 411.978822492891, 'nucl_elec_ref_bitmask_energy' : -1020.47128200012, 'bi_elec_ref_bitmask_energy' : 177.015003603283, }, 'B.ezfio' : { 'HF energy' : -24.5266342611431, 'ref_bitmask_energy' : -24.5266342611431, 'mono_elec_ref_bitmask_energy' : -32.3652308920647, 'kinetic_ref_bitmask_energy' : 24.5020373206878, 'nucl_elec_ref_bitmask_energy' : -56.8672682127525, 'bi_elec_ref_bitmask_energy' : 7.83859663092163, }, 'B+.ezfio' : { 'HF energy' : -24.2345774342863, 'ref_bitmask_energy' : -24.2345774342863, 'mono_elec_ref_bitmask_energy' : -30.3213622851650, 'kinetic_ref_bitmask_energy' : 24.1017643440956, 'nucl_elec_ref_bitmask_energy' : -54.4231266292606, 'bi_elec_ref_bitmask_energy' : 6.08678485087870, }, 'BH2.ezfio' : { 'HF energy' : -25.7518181267377, 'ref_bitmask_energy' : -30.4362597288805, 'mono_elec_ref_bitmask_energy' : -42.8676648188204, 'kinetic_ref_bitmask_energy' : 25.6875860275507, 'nucl_elec_ref_bitmask_energy' : -68.5552508463711, 'bi_elec_ref_bitmask_energy' : 12.4314050899399, }, 'BH3.ezfio' : { 'HF energy' : -26.3908451871771, 'ref_bitmask_energy' : -33.8081070023476, 'mono_elec_ref_bitmask_energy' : -48.9798113754927, 'kinetic_ref_bitmask_energy' : 26.3095049020120, 'nucl_elec_ref_bitmask_energy' : -75.2893162775048, 'bi_elec_ref_bitmask_energy' : 15.1717043731451, }, 'BH.ezfio' : { 'HF energy' : -25.1254476784065, 'ref_bitmask_energy' : -27.2503161694120, 'mono_elec_ref_bitmask_energy' : -37.1441341219313, 'kinetic_ref_bitmask_energy' : 25.0780149908048, 'nucl_elec_ref_bitmask_energy' : -62.2221491127361, 'bi_elec_ref_bitmask_energy' : 9.89381795251927, }, 'BO.ezfio' : { 'HF energy' : -99.5234945372382, 'ref_bitmask_energy' : -117.031426679505, 'mono_elec_ref_bitmask_energy' : -170.986960927635, 'kinetic_ref_bitmask_energy' : 99.2898330542521, 'nucl_elec_ref_bitmask_energy' : -270.276793981887, 'bi_elec_ref_bitmask_energy' : 53.9555342481303, }, 'BS.ezfio' : { 'HF energy' : -422.167742726285, 'ref_bitmask_energy' : -448.272558610851, 'mono_elec_ref_bitmask_energy' : -634.274205643783, 'kinetic_ref_bitmask_energy' : 422.006842117052, 'nucl_elec_ref_bitmask_energy' : -1056.28104776084, 'bi_elec_ref_bitmask_energy' : 186.001647032934, }, 'C2.ezfio' : { 'HF energy' : -75.3871426048735, 'ref_bitmask_energy' : -90.5546433723894, 'mono_elec_ref_bitmask_energy' : -130.677746758927, 'kinetic_ref_bitmask_energy' : 75.2466006996503, 'nucl_elec_ref_bitmask_energy' : -205.924347458578, 'bi_elec_ref_bitmask_energy' : 40.1231033865378, }, 'C2H2.ezfio' : { 'HF energy' : -76.8258481236832, 'ref_bitmask_energy' : -101.542873206472, 'mono_elec_ref_bitmask_energy' : -151.547941335540, 'kinetic_ref_bitmask_energy' : 76.6032440935330, 'nucl_elec_ref_bitmask_energy' : -228.151185429073, 'bi_elec_ref_bitmask_energy' : 50.0050681290678, }, 'C2H2+.ezfio' : { 'HF energy' : -76.4657439510741, 'ref_bitmask_energy' : -100.418857323155, 'mono_elec_ref_bitmask_energy' : -145.062294129419, 'kinetic_ref_bitmask_energy' : 76.2099158649281, 'nucl_elec_ref_bitmask_energy' : -221.272209994347, 'bi_elec_ref_bitmask_energy' : 44.6434368062635, }, 'C2H3.ezfio' : { 'HF energy' : -77.3899729669865, 'ref_bitmask_energy' : -105.755532966185, 'mono_elec_ref_bitmask_energy' : -159.358727087044, 'kinetic_ref_bitmask_energy' : 77.1964491858657, 'nucl_elec_ref_bitmask_energy' : -236.555176272909, 'bi_elec_ref_bitmask_energy' : 53.6031941208585, }, 'C2H3+.ezfio' : { 'HF energy' : -77.0934188191746, 'ref_bitmask_energy' : -105.906331203356, 'mono_elec_ref_bitmask_energy' : -155.349817597585, 'kinetic_ref_bitmask_energy' : 76.8774009098816, 'nucl_elec_ref_bitmask_energy' : -232.227218507466, 'bi_elec_ref_bitmask_energy' : 49.4434863942287, }, 'C2H4.ezfio' : { 'HF energy' : -78.0401066225105, 'ref_bitmask_energy' : -111.371437439337, 'mono_elec_ref_bitmask_energy' : -169.961803594666, 'kinetic_ref_bitmask_energy' : 77.8130923213403, 'nucl_elec_ref_bitmask_energy' : -247.774895916006, 'bi_elec_ref_bitmask_energy' : 58.5903661553289, }, 'C2H4+.ezfio' : { 'HF energy' : -77.7134210216887, 'ref_bitmask_energy' : -110.095940787820, 'mono_elec_ref_bitmask_energy' : -162.968909372406, 'kinetic_ref_bitmask_energy' : 77.4776130032882, 'nucl_elec_ref_bitmask_energy' : -240.446522375694, 'bi_elec_ref_bitmask_energy' : 52.8729685845856, }, 'C2H5.ezfio' : { 'HF energy' : -78.5997190368340, 'ref_bitmask_energy' : -115.463578543326, 'mono_elec_ref_bitmask_energy' : -177.651549119161, 'kinetic_ref_bitmask_energy' : 78.4020086886537, 'nucl_elec_ref_bitmask_energy' : -256.053557807815, 'bi_elec_ref_bitmask_energy' : 62.1879705758352, }, 'C2H6.ezfio' : { 'HF energy' : -79.2350361367865, 'ref_bitmask_energy' : -121.342287422870, 'mono_elec_ref_bitmask_energy' : -188.762075394181, 'kinetic_ref_bitmask_energy' : 78.9968997079464, 'nucl_elec_ref_bitmask_energy' : -267.758975102127, 'bi_elec_ref_bitmask_energy' : 67.4197879713110, }, 'C2H.ezfio' : { 'HF energy' : -76.1375179497941, 'ref_bitmask_energy' : -96.0418510154777, 'mono_elec_ref_bitmask_energy' : -141.128659061994, 'kinetic_ref_bitmask_energy' : 75.8355191781533, 'nucl_elec_ref_bitmask_energy' : -216.964178240147, 'bi_elec_ref_bitmask_energy' : 45.0868080465159, }, 'CCl.ezfio' : { 'HF energy' : -497.230808104094, 'ref_bitmask_energy' : -529.154204956471, 'mono_elec_ref_bitmask_energy' : -748.709888672126, 'kinetic_ref_bitmask_energy' : 497.180759420040, 'nucl_elec_ref_bitmask_energy' : -1245.89064809217, 'bi_elec_ref_bitmask_energy' : 219.555683715654, }, 'C-.ezfio' : { 'HF energy' : -37.6792290591792, 'ref_bitmask_energy' : -37.6792290591792, 'mono_elec_ref_bitmask_energy' : -52.8721018177008, 'kinetic_ref_bitmask_energy' : 37.8611176366910, 'nucl_elec_ref_bitmask_energy' : -90.7332194543918, 'bi_elec_ref_bitmask_energy' : 15.1928727585216, }, 'C.ezfio' : { 'HF energy' : -37.6824711512968, 'ref_bitmask_energy' : -37.6824711512968, 'mono_elec_ref_bitmask_energy' : -50.4450543334033, 'kinetic_ref_bitmask_energy' : 37.6498593719946, 'nucl_elec_ref_bitmask_energy' : -88.0949137053979, 'bi_elec_ref_bitmask_energy' : 12.7625831821065, }, 'C+.ezfio' : { 'HF energy' : -37.2856684097988, 'ref_bitmask_energy' : -37.2856684097988, 'mono_elec_ref_bitmask_energy' : -47.5287321545728, 'kinetic_ref_bitmask_energy' : 37.1277057545487, 'nucl_elec_ref_bitmask_energy' : -84.6564379091215, 'bi_elec_ref_bitmask_energy' : 10.2430637447740, }, 'CF.ezfio' : { 'HF energy' : -137.175893915858, 'ref_bitmask_energy' : -159.384311920054, 'mono_elec_ref_bitmask_energy' : -233.513314256940, 'kinetic_ref_bitmask_energy' : 137.067180946598, 'nucl_elec_ref_bitmask_energy' : -370.580495203537, 'bi_elec_ref_bitmask_energy' : 74.1290023368853, }, 'CH2_1A1.ezfio' : { 'HF energy' : -38.8809712097680, 'ref_bitmask_energy' : -44.8613469493631, 'mono_elec_ref_bitmask_energy' : -63.4630627192551, 'kinetic_ref_bitmask_energy' : 38.7976613492177, 'nucl_elec_ref_bitmask_energy' : -102.260724068473, 'bi_elec_ref_bitmask_energy' : 18.6017157698920, }, 'CH2_3B1.ezfio' : { 'HF energy' : -38.9215876596325, 'ref_bitmask_energy' : -45.0562342393694, 'mono_elec_ref_bitmask_energy' : -63.8575178711856, 'kinetic_ref_bitmask_energy' : 38.8454376303809, 'nucl_elec_ref_bitmask_energy' : -102.702955501567, 'bi_elec_ref_bitmask_energy' : 18.8012836318163, }, 'CH2-.ezfio' : { 'HF energy' : -38.8618460860770, 'ref_bitmask_energy' : -44.6615663169185, 'mono_elec_ref_bitmask_energy' : -65.9758315683818, 'kinetic_ref_bitmask_energy' : 38.9332849142026, 'nucl_elec_ref_bitmask_energy' : -104.909116482584, 'bi_elec_ref_bitmask_energy' : 21.3142652514634, }, 'CH3-.ezfio' : { 'HF energy' : -39.4841950320053, 'ref_bitmask_energy' : -48.8066579156017, 'mono_elec_ref_bitmask_energy' : -73.8379611620141, 'kinetic_ref_bitmask_energy' : 39.5084345305930, 'nucl_elec_ref_bitmask_energy' : -113.346395692607, 'bi_elec_ref_bitmask_energy' : 25.0313032464124, }, 'CH3.ezfio' : { 'HF energy' : -39.5596808961946, 'ref_bitmask_energy' : -49.2031351255650, 'mono_elec_ref_bitmask_energy' : -71.5038589708571, 'kinetic_ref_bitmask_energy' : 39.4530673358300, 'nucl_elec_ref_bitmask_energy' : -110.956926306687, 'bi_elec_ref_bitmask_energy' : 22.3007238452921, }, 'CH4.ezfio' : { 'HF energy' : -40.1987614481779, 'ref_bitmask_energy' : -53.5939603003212, 'mono_elec_ref_bitmask_energy' : -79.6206361128117, 'kinetic_ref_bitmask_energy' : 40.0653847777261, 'nucl_elec_ref_bitmask_energy' : -119.686020890538, 'bi_elec_ref_bitmask_energy' : 26.0266758124906, }, 'CH4+.ezfio' : { 'HF energy' : -39.7661643523342, 'ref_bitmask_energy' : -52.7959397209342, 'mono_elec_ref_bitmask_energy' : -75.2000215328423, 'kinetic_ref_bitmask_energy' : 39.6367121756410, 'nucl_elec_ref_bitmask_energy' : -114.836733708483, 'bi_elec_ref_bitmask_energy' : 22.4040818119080, }, 'CH-.ezfio' : { 'HF energy' : -38.2598928986190, 'ref_bitmask_energy' : -40.9533637961419, 'mono_elec_ref_bitmask_energy' : -58.9931371749738, 'kinetic_ref_bitmask_energy' : 38.3898570360078, 'nucl_elec_ref_bitmask_energy' : -97.3829942109816, 'bi_elec_ref_bitmask_energy' : 18.0397733788319, }, 'CH.ezfio' : { 'HF energy' : -38.2688976728531, 'ref_bitmask_energy' : -41.0697652575391, 'mono_elec_ref_bitmask_energy' : -56.5520135742233, 'kinetic_ref_bitmask_energy' : 38.2140853696267, 'nucl_elec_ref_bitmask_energy' : -94.7660989438500, 'bi_elec_ref_bitmask_energy' : 15.4822483166842, }, 'Cl2-.ezfio' : { 'HF energy' : -919.036327442422, 'ref_bitmask_energy' : -974.648045610059, 'mono_elec_ref_bitmask_energy' : -1390.82748026578, 'kinetic_ref_bitmask_energy' : 918.859851490039, 'nucl_elec_ref_bitmask_energy' : -2309.68733175582, 'bi_elec_ref_bitmask_energy' : 416.179434655722, }, 'Cl2.ezfio' : { 'HF energy' : -918.962229153686, 'ref_bitmask_energy' : -993.833581822344, 'mono_elec_ref_bitmask_energy' : -1418.83288780499, 'kinetic_ref_bitmask_energy' : 918.840261837215, 'nucl_elec_ref_bitmask_energy' : -2337.67314964221, 'bi_elec_ref_bitmask_energy' : 424.999305982647, }, 'Cl2+.ezfio' : { 'HF energy' : -918.545015499232, 'ref_bitmask_energy' : -997.376059293562, 'mono_elec_ref_bitmask_energy' : -1415.16266273219, 'kinetic_ref_bitmask_energy' : 918.407560628524, 'nucl_elec_ref_bitmask_energy' : -2333.57022336071, 'bi_elec_ref_bitmask_energy' : 417.786603438628, }, 'Cl-.ezfio' : { 'HF energy' : -459.542604303612, 'ref_bitmask_energy' : -459.542604303612, 'mono_elec_ref_bitmask_energy' : -641.858378545914, 'kinetic_ref_bitmask_energy' : 459.543030736246, 'nucl_elec_ref_bitmask_energy' : -1101.40140928216, 'bi_elec_ref_bitmask_energy' : 182.315774242301, }, 'Cl.ezfio' : { 'HF energy' : -459.467388900804, 'ref_bitmask_energy' : -459.467388900804, 'mono_elec_ref_bitmask_energy' : -634.883600452506, 'kinetic_ref_bitmask_energy' : 459.384536301880, 'nucl_elec_ref_bitmask_energy' : -1094.26813675439, 'bi_elec_ref_bitmask_energy' : 175.416211551703, }, 'Cl+.ezfio' : { 'HF energy' : -459.032638018408, 'ref_bitmask_energy' : -459.032638018408, 'mono_elec_ref_bitmask_energy' : -627.204472740479, 'kinetic_ref_bitmask_energy' : 458.931599480410, 'nucl_elec_ref_bitmask_energy' : -1086.13607222089, 'bi_elec_ref_bitmask_energy' : 168.171834722072, }, 'ClH2+.ezfio' : { 'HF energy' : -460.305023287419, 'ref_bitmask_energy' : -474.267836839147, 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'nucl_elec_ref_bitmask_energy' : -2182.93870340871, 'bi_elec_ref_bitmask_energy' : 397.887599897282, }, 'ClSiH3.ezfio' : { 'HF energy' : -750.222883319256, 'ref_bitmask_energy' : -835.708043811288, 'mono_elec_ref_bitmask_energy' : -1208.14703691842, 'kinetic_ref_bitmask_energy' : 750.092054655329, 'nucl_elec_ref_bitmask_energy' : -1958.23909157375, 'bi_elec_ref_bitmask_energy' : 372.438993107135, }, 'CN-.ezfio' : { 'HF energy' : -92.2985714222200, 'ref_bitmask_energy' : -111.068476377882, 'mono_elec_ref_bitmask_energy' : -166.431936267566, 'kinetic_ref_bitmask_energy' : 92.2255929002707, 'nucl_elec_ref_bitmask_energy' : -258.657529167837, 'bi_elec_ref_bitmask_energy' : 55.3634598896834, }, 'CN.ezfio' : { 'HF energy' : -92.1961185722755, 'ref_bitmask_energy' : -111.125889850701, 'mono_elec_ref_bitmask_energy' : -161.818985350517, 'kinetic_ref_bitmask_energy' : 91.8481433754441, 'nucl_elec_ref_bitmask_energy' : -253.667128725961, 'bi_elec_ref_bitmask_energy' : 50.6930954998157, }, 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'FAl.ezfio' : { 'HF energy' : -341.423459992773, 'ref_bitmask_energy' : -378.535333236794, 'mono_elec_ref_bitmask_energy' : -550.860930235830, 'kinetic_ref_bitmask_energy' : 341.347144280225, 'nucl_elec_ref_bitmask_energy' : -892.208074516055, 'bi_elec_ref_bitmask_energy' : 172.325596999036, }, 'FCl.ezfio' : { 'HF energy' : -558.844748823196, 'ref_bitmask_energy' : -607.492299803788, 'mono_elec_ref_bitmask_energy' : -870.714104911679, 'kinetic_ref_bitmask_energy' : 558.680125958430, 'nucl_elec_ref_bitmask_energy' : -1429.39423087011, 'bi_elec_ref_bitmask_energy' : 263.221805107893, }, 'FCl+.ezfio' : { 'HF energy' : -558.397770946912, 'ref_bitmask_energy' : -609.878739406886, 'mono_elec_ref_bitmask_energy' : -865.864984746435, 'kinetic_ref_bitmask_energy' : 558.230099680555, 'nucl_elec_ref_bitmask_energy' : -1424.09508442699, 'bi_elec_ref_bitmask_energy' : 255.986245339549, }, 'F-.ezfio' : { 'HF energy' : -99.3665278620389, 'ref_bitmask_energy' : -99.3665278620389, 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'mono_elec_ref_bitmask_energy' : -673.243886314775, 'kinetic_ref_bitmask_energy' : 466.968192349038, 'nucl_elec_ref_bitmask_energy' : -1140.21207866381, 'bi_elec_ref_bitmask_energy' : 193.072375821177, }, 'Li.ezfio' : { 'HF energy' : -7.43242250881677, 'ref_bitmask_energy' : -7.43242250881677, 'mono_elec_ref_bitmask_energy' : -9.71293880649207, 'kinetic_ref_bitmask_energy' : 7.42872194786617, 'nucl_elec_ref_bitmask_energy' : -17.1416607543582, 'bi_elec_ref_bitmask_energy' : 2.28051629767530, }, 'Li+.ezfio' : { 'HF energy' : -7.23611876759556, 'ref_bitmask_energy' : -7.23611876759556, 'mono_elec_ref_bitmask_energy' : -8.88664104890637, 'kinetic_ref_bitmask_energy' : 7.22674091387871, 'nucl_elec_ref_bitmask_energy' : -16.1133819627851, 'bi_elec_ref_bitmask_energy' : 1.65052228131081, }, 'LiF.ezfio' : { 'HF energy' : -106.945055626902, 'ref_bitmask_energy' : -116.155257214602, 'mono_elec_ref_bitmask_energy' : -169.598634137584, 'kinetic_ref_bitmask_energy' : 106.914073568647, 'nucl_elec_ref_bitmask_energy' : -276.512707706231, 'bi_elec_ref_bitmask_energy' : 53.4433769229812, }, 'LiH.ezfio' : { 'HF energy' : -7.98371886229032, 'ref_bitmask_energy' : -8.96277020179078, 'mono_elec_ref_bitmask_energy' : -12.4231939312175, 'kinetic_ref_bitmask_energy' : 7.96780225813476, 'nucl_elec_ref_bitmask_energy' : -20.3909961893523, 'bi_elec_ref_bitmask_energy' : 3.46042372942677, }, 'LiN.ezfio' : { 'HF energy' : -61.8121037146894, 'ref_bitmask_energy' : -67.6987030520133, 'mono_elec_ref_bitmask_energy' : -96.5539275507212, 'kinetic_ref_bitmask_energy' : 61.7634051165740, 'nucl_elec_ref_bitmask_energy' : -158.317332667295, 'bi_elec_ref_bitmask_energy' : 28.8552244987079, }, 'LiO.ezfio' : { 'HF energy' : -82.2761807962908, 'ref_bitmask_energy' : -90.2078907488264, 'mono_elec_ref_bitmask_energy' : -130.387644383847, 'kinetic_ref_bitmask_energy' : 82.3332708965144, 'nucl_elec_ref_bitmask_energy' : -212.720915280362, 'bi_elec_ref_bitmask_energy' : 40.1797536350209, }, 'LiOH.ezfio' : { 'HF energy' : -82.9205395480857, 'ref_bitmask_energy' : -95.9752423340048, 'mono_elec_ref_bitmask_energy' : -141.368516917771, 'kinetic_ref_bitmask_energy' : 82.8238653698228, 'nucl_elec_ref_bitmask_energy' : -224.192382287594, 'bi_elec_ref_bitmask_energy' : 45.3932745837666, }, 'MgCl.ezfio' : { 'HF energy' : -659.182667128173, 'ref_bitmask_energy' : -707.422974034956, 'mono_elec_ref_bitmask_energy' : -1011.74035043249, 'kinetic_ref_bitmask_energy' : 659.080590116588, 'nucl_elec_ref_bitmask_energy' : -1670.82094054908, 'bi_elec_ref_bitmask_energy' : 304.317376397537, }, 'Mg.ezfio' : { 'HF energy' : -199.608338997462, 'ref_bitmask_energy' : -199.608338997462, 'mono_elec_ref_bitmask_energy' : -279.405250872534, 'kinetic_ref_bitmask_energy' : 199.562468580061, 'nucl_elec_ref_bitmask_energy' : -478.967719452595, 'bi_elec_ref_bitmask_energy' : 79.7969118750716, }, 'Mg+.ezfio' : { 'HF energy' : -199.365066902646, 'ref_bitmask_energy' : -199.365066902646, 'mono_elec_ref_bitmask_energy' : -275.629655730689, 'kinetic_ref_bitmask_energy' : 199.270852240609, 'nucl_elec_ref_bitmask_energy' : -474.900507971298, 'bi_elec_ref_bitmask_energy' : 76.2645888280432, }, 'MgH.ezfio' : { 'HF energy' : -200.147929509118, 'ref_bitmask_energy' : -203.766441668215, 'mono_elec_ref_bitmask_energy' : -286.988425553038, 'kinetic_ref_bitmask_energy' : 200.093111327497, 'nucl_elec_ref_bitmask_energy' : -487.081536880535, 'bi_elec_ref_bitmask_energy' : 83.2219838848224, }, 'MgS.ezfio' : { 'HF energy' : -597.112616742310, 'ref_bitmask_energy' : -644.100560972065, 'mono_elec_ref_bitmask_energy' : -924.034124736738, 'kinetic_ref_bitmask_energy' : 596.991146858400, 'nucl_elec_ref_bitmask_energy' : -1521.02527159514, 'bi_elec_ref_bitmask_energy' : 279.933563764671, }, 'N2.ezfio' : { 'HF energy' : -108.953475433698, 'ref_bitmask_energy' : -132.406519211737, 'mono_elec_ref_bitmask_energy' : -193.900278166938, 'kinetic_ref_bitmask_energy' : 108.605487887550, 'nucl_elec_ref_bitmask_energy' : -302.505766054488, 'bi_elec_ref_bitmask_energy' : 61.4937589552012, }, 'N2+.ezfio' : { 'HF energy' : -108.369085166667, 'ref_bitmask_energy' : -131.582769321546, 'mono_elec_ref_bitmask_energy' : -187.030205043599, 'kinetic_ref_bitmask_energy' : 107.947432368188, 'nucl_elec_ref_bitmask_energy' : -294.977637411787, 'bi_elec_ref_bitmask_energy' : 55.4474357220529, }, 'Na2.ezfio' : { 'HF energy' : -323.704491982246, 'ref_bitmask_energy' : -344.781005191265, 'mono_elec_ref_bitmask_energy' : -498.187762032058, 'kinetic_ref_bitmask_energy' : 323.695673982388, 'nucl_elec_ref_bitmask_energy' : -821.883436014445, 'bi_elec_ref_bitmask_energy' : 153.406756840791, }, 'NaCl.ezfio' : { 'HF energy' : -621.434148658235, 'ref_bitmask_energy' : -663.082358070272, 'mono_elec_ref_bitmask_energy' : -948.624881796481, 'kinetic_ref_bitmask_energy' : 621.356349789367, 'nucl_elec_ref_bitmask_energy' : -1569.98123158585, 'bi_elec_ref_bitmask_energy' : 285.542523726210, }, 'Na.ezfio' : { 'HF energy' : -161.853070895406, 'ref_bitmask_energy' : -161.853070895406, 'mono_elec_ref_bitmask_energy' : -227.849602391733, 'kinetic_ref_bitmask_energy' : 161.815585926198, 'nucl_elec_ref_bitmask_energy' : -389.665188317930, 'bi_elec_ref_bitmask_energy' : 65.9965314963265, }, 'Na+.ezfio' : { 'HF energy' : -161.671095844405, 'ref_bitmask_energy' : -161.671095844405, 'mono_elec_ref_bitmask_energy' : -224.845187990032, 'kinetic_ref_bitmask_energy' : 161.595280340091, 'nucl_elec_ref_bitmask_energy' : -386.440468330123, 'bi_elec_ref_bitmask_energy' : 63.1740921456269, }, 'NaH.ezfio' : { 'HF energy' : -162.384086802394, 'ref_bitmask_energy' : -165.473270976358, 'mono_elec_ref_bitmask_energy' : -234.823752872669, 'kinetic_ref_bitmask_energy' : 162.378313541576, 'nucl_elec_ref_bitmask_energy' : -397.202066414245, 'bi_elec_ref_bitmask_energy' : 69.3504818963106, }, 'N.ezfio' : { 'HF energy' : -54.3884719039210, 'ref_bitmask_energy' : -54.3884719039210, 'mono_elec_ref_bitmask_energy' : -73.9477890731265, 'kinetic_ref_bitmask_energy' : 54.3500762956851, 'nucl_elec_ref_bitmask_energy' : -128.297865368812, 'bi_elec_ref_bitmask_energy' : 19.5593171692055, }, 'N+.ezfio' : { 'HF energy' : -53.8753846885467, 'ref_bitmask_energy' : -53.8753846885467, 'mono_elec_ref_bitmask_energy' : -69.9952154234076, 'kinetic_ref_bitmask_energy' : 53.6969265686419, 'nucl_elec_ref_bitmask_energy' : -123.692141992049, 'bi_elec_ref_bitmask_energy' : 16.1198307348609, }, 'NF.ezfio' : { 'HF energy' : -153.781568164746, 'ref_bitmask_energy' : -178.980465737008, 'mono_elec_ref_bitmask_energy' : -263.016928236087, 'kinetic_ref_bitmask_energy' : 153.698315778431, 'nucl_elec_ref_bitmask_energy' : -416.715244014518, 'bi_elec_ref_bitmask_energy' : 84.0364624990794, }, 'NH2-.ezfio' : { 'HF energy' : -55.4818314356728, 'ref_bitmask_energy' : -62.8617172701652, 'mono_elec_ref_bitmask_energy' : -93.4841408104304, 'kinetic_ref_bitmask_energy' : 55.6087796403737, 'nucl_elec_ref_bitmask_energy' : -149.092920450804, 'bi_elec_ref_bitmask_energy' : 30.6224235402651, }, 'NH2.ezfio' : { 'HF energy' : -55.5627601568740, 'ref_bitmask_energy' : -63.0543407216169, 'mono_elec_ref_bitmask_energy' : -90.0822173567531, 'kinetic_ref_bitmask_energy' : 55.4581478983823, 'nucl_elec_ref_bitmask_energy' : -145.540365255135, 'bi_elec_ref_bitmask_energy' : 27.0278766351363, }, 'NH3.ezfio' : { 'HF energy' : -56.1955099111793, 'ref_bitmask_energy' : -68.0731293952555, 'mono_elec_ref_bitmask_energy' : -99.5110046875628, 'kinetic_ref_bitmask_energy' : 56.0579611891566, 'nucl_elec_ref_bitmask_energy' : -155.568965876719, 'bi_elec_ref_bitmask_energy' : 31.4378752923073, }, 'NH3+.ezfio' : { 'HF energy' : -55.8800893436020, 'ref_bitmask_energy' : -67.5692058162217, 'mono_elec_ref_bitmask_energy' : -95.0328662013759, 'kinetic_ref_bitmask_energy' : 55.6749305703741, 'nucl_elec_ref_bitmask_energy' : -150.707796771750, 'bi_elec_ref_bitmask_energy' : 27.4636603851541, }, 'NH4+.ezfio' : { 'HF energy' : -56.5446249061479, 'ref_bitmask_energy' : -72.8278690995007, 'mono_elec_ref_bitmask_energy' : -104.691961807979, 'kinetic_ref_bitmask_energy' : 56.2991309338399, 'nucl_elec_ref_bitmask_energy' : -160.991092741819, 'bi_elec_ref_bitmask_energy' : 31.8640927084788, }, 'NH-.ezfio' : { 'HF energy' : -54.8600453094453, 'ref_bitmask_energy' : -58.3235677773999, 'mono_elec_ref_bitmask_energy' : -84.8715080310303, 'kinetic_ref_bitmask_energy' : 55.0547221426300, 'nucl_elec_ref_bitmask_energy' : -139.926230173660, 'bi_elec_ref_bitmask_energy' : 26.5479402536304, }, 'NH.ezfio' : { 'HF energy' : -54.9596842818799, 'ref_bitmask_energy' : -58.4945990715404, 'mono_elec_ref_bitmask_energy' : -81.5712121392944, 'kinetic_ref_bitmask_energy' : 54.8933634680184, 'nucl_elec_ref_bitmask_energy' : -136.464575607313, 'bi_elec_ref_bitmask_energy' : 23.0766130677540, }, 'NO-.ezfio' : { 'HF energy' : -129.208755184176, 'ref_bitmask_energy' : -152.378361082534, 'mono_elec_ref_bitmask_energy' : -229.169251086599, 'kinetic_ref_bitmask_energy' : 129.263963698794, 'nucl_elec_ref_bitmask_energy' : -358.433214785393, 'bi_elec_ref_bitmask_energy' : 76.7908900040652, }, 'NO.ezfio' : { 'HF energy' : -129.253222277094, 'ref_bitmask_energy' : -154.828371965538, 'mono_elec_ref_bitmask_energy' : -227.371284096931, 'kinetic_ref_bitmask_energy' : 128.975658701246, 'nucl_elec_ref_bitmask_energy' : -356.346942798176, 'bi_elec_ref_bitmask_energy' : 72.5429121313932, }, 'NP.ezfio' : { 'HF energy' : -395.143616268286, 'ref_bitmask_energy' : -432.317370964881, 'mono_elec_ref_bitmask_energy' : -619.385164038174, 'kinetic_ref_bitmask_energy' : 394.864748599578, 'nucl_elec_ref_bitmask_energy' : -1014.24991263775, 'bi_elec_ref_bitmask_energy' : 187.067793073294, }, 'NS.ezfio' : { 'HF energy' : -451.902173432179, 'ref_bitmask_energy' : -491.028032877650, 'mono_elec_ref_bitmask_energy' : -700.815474579048, 'kinetic_ref_bitmask_energy' : 451.709377359343, 'nucl_elec_ref_bitmask_energy' : -1152.52485193839, 'bi_elec_ref_bitmask_energy' : 209.787441701398, }, 'NSi.ezfio' : { 'HF energy' : -343.254149736898, 'ref_bitmask_energy' : -376.128552527389, 'mono_elec_ref_bitmask_energy' : -540.139219087309, 'kinetic_ref_bitmask_energy' : 343.026007698321, 'nucl_elec_ref_bitmask_energy' : -883.165226785630, 'bi_elec_ref_bitmask_energy' : 164.010666559921, }, 'O2Cl.ezfio' : { 'HF energy' : -608.982998949926, 'ref_bitmask_energy' : -692.171832141480, 'mono_elec_ref_bitmask_energy' : -1006.11900502312, 'kinetic_ref_bitmask_energy' : 608.479273274948, 'nucl_elec_ref_bitmask_energy' : -1614.59827829807, 'bi_elec_ref_bitmask_energy' : 313.947172881642, }, 'O2-.ezfio' : { 'HF energy' : -149.562513718041, 'ref_bitmask_energy' : -174.590110478312, 'mono_elec_ref_bitmask_energy' : -262.824281245395, 'kinetic_ref_bitmask_energy' : 149.584964422336, 'nucl_elec_ref_bitmask_energy' : -412.409245667731, 'bi_elec_ref_bitmask_energy' : 88.2341707670825, }, 'O2.ezfio' : { 'HF energy' : -149.608509108942, 'ref_bitmask_energy' : -177.496638173501, 'mono_elec_ref_bitmask_energy' : -261.261430444042, 'kinetic_ref_bitmask_energy' : 149.363426251679, 'nucl_elec_ref_bitmask_energy' : -410.624856695722, 'bi_elec_ref_bitmask_energy' : 83.7647922705414, }, 'O2+.ezfio' : { 'HF energy' : -149.167351190034, 'ref_bitmask_energy' : -179.368299946945, 'mono_elec_ref_bitmask_energy' : -257.815695877073, 'kinetic_ref_bitmask_energy' : 148.728338974831, 'nucl_elec_ref_bitmask_energy' : -406.544034851904, 'bi_elec_ref_bitmask_energy' : 78.4473959301284, }, 'O2S.ezfio' : { 'HF energy' : -547.177582946873, 'ref_bitmask_energy' : -653.143927241869, 'mono_elec_ref_bitmask_energy' : -965.351927347113, 'kinetic_ref_bitmask_energy' : 546.720971449988, 'nucl_elec_ref_bitmask_energy' : -1512.07289879710, 'bi_elec_ref_bitmask_energy' : 312.208000105246, }, 'O2Si.ezfio' : { 'HF energy' : -438.630257841530, 'ref_bitmask_energy' : -527.772440998732, 'mono_elec_ref_bitmask_energy' : -784.986285866864, 'kinetic_ref_bitmask_energy' : 438.301147056973, 'nucl_elec_ref_bitmask_energy' : -1223.28743292384, 'bi_elec_ref_bitmask_energy' : 257.213844868129, }, 'O3.ezfio' : { 'HF energy' : -224.271206099283, 'ref_bitmask_energy' : -293.476650731032, 'mono_elec_ref_bitmask_energy' : -445.706849722284, 'kinetic_ref_bitmask_energy' : 223.922233321835, 'nucl_elec_ref_bitmask_energy' : -669.629083044118, 'bi_elec_ref_bitmask_energy' : 152.230198991252, }, 'OCl.ezfio' : { 'HF energy' : -534.253787259720, 'ref_bitmask_energy' : -578.695003675677, 'mono_elec_ref_bitmask_energy' : -826.259860274541, 'kinetic_ref_bitmask_energy' : 534.228922451076, 'nucl_elec_ref_bitmask_energy' : -1360.48878272562, 'bi_elec_ref_bitmask_energy' : 247.564856598865, }, 'O-.ezfio' : { 'HF energy' : -74.7187973373159, 'ref_bitmask_energy' : -74.7187973373159, 'mono_elec_ref_bitmask_energy' : -107.616764407272, 'kinetic_ref_bitmask_energy' : 74.9892969786169, 'nucl_elec_ref_bitmask_energy' : -182.606061385889, 'bi_elec_ref_bitmask_energy' : 32.8979670699560, }, 'O.ezfio' : { 'HF energy' : -74.7875763371654, 'ref_bitmask_energy' : -74.7875763371654, 'mono_elec_ref_bitmask_energy' : -103.270328649245, 'kinetic_ref_bitmask_energy' : 74.7522278329549, 'nucl_elec_ref_bitmask_energy' : -178.022556482200, 'bi_elec_ref_bitmask_energy' : 28.4827523120793, }, 'O+.ezfio' : { 'HF energy' : -74.3484003155722, 'ref_bitmask_energy' : -74.3484003155722, 'mono_elec_ref_bitmask_energy' : -98.3830904771361, 'kinetic_ref_bitmask_energy' : 74.2104894252336, 'nucl_elec_ref_bitmask_energy' : -172.593579902370, 'bi_elec_ref_bitmask_energy' : 24.0346901615639, }, 'OH2.ezfio' : { 'HF energy' : -76.0263689308080, 'ref_bitmask_energy' : -85.1144965799680, 'mono_elec_ref_bitmask_energy' : -122.953588511369, 'kinetic_ref_bitmask_energy' : 75.9053406740600, 'nucl_elec_ref_bitmask_energy' : -198.858929185429, 'bi_elec_ref_bitmask_energy' : 37.8390919314014, }, 'OH2+.ezfio' : { 'HF energy' : -75.6286340721586, 'ref_bitmask_energy' : -84.3077752506199, 'mono_elec_ref_bitmask_energy' : -117.279675066387, 'kinetic_ref_bitmask_energy' : 75.4122571651236, 'nucl_elec_ref_bitmask_energy' : -192.691932231511, 'bi_elec_ref_bitmask_energy' : 32.9718998157676, }, 'OH3+.ezfio' : { 'HF energy' : -76.3108341994031, 'ref_bitmask_energy' : -90.1312173489400, 'mono_elec_ref_bitmask_energy' : -128.253613943007, 'kinetic_ref_bitmask_energy' : 76.0487077487885, 'nucl_elec_ref_bitmask_energy' : -204.302321691796, 'bi_elec_ref_bitmask_energy' : 38.1223965940673, }, 'OH-.ezfio' : { 'HF energy' : -75.3316290383630, 'ref_bitmask_energy' : -79.6190687709942, 'mono_elec_ref_bitmask_energy' : -117.020688684865, 'kinetic_ref_bitmask_energy' : 75.5420069686537, 'nucl_elec_ref_bitmask_energy' : -192.562695653519, 'bi_elec_ref_bitmask_energy' : 37.4016199138706, }, 'OH.ezfio' : { 'HF energy' : -75.3898479462785, 'ref_bitmask_energy' : -79.6960405940254, 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