srDFT_G2/Data_DFT/data_HF_vqz
2019-03-31 17:01:41 +02:00

69 lines
1.5 KiB
Plaintext

Be -14.57296812720507
BeH -15.15305869213004
C -37.68829840131491
C2H2 -76.85476976139270
C2H4 -78.06907427868512
C2H6 -79.26477693512471
CH -38.27894608464611
CH2_1A1 -38.89448293559193
CH2_3B1 -38.93448751584025
CH3 -39.57558681782810
CH3Cl -499.1543280993102
CH3SH -437.7636027344979
CH4 -40.21601918888557
CN -92.22419264435091
CO -112.7884861931737
CO2 -187.7209954933071
CS -435.3591694297441
Cl -459.4832372539939
Cl2 -919.0068104548476
ClF -558.9142126874182
ClO -534.3072978482496
F -99.40895185199540
F2 -198.7711408659515
H -0.4999455685829877
H2CO -113.9207980948414
H2O -76.06438613129674
H2O2 -150.8483909003512
H2S -398.7177323757796
H3COH -115.0983986400604
HCN -92.91456547575764
HCO -113.2955410939483
HCl -460.1110660575816
HF -100.0675593182348
HOCl -534.9296674725636
Li -7.432695138248977
Li2 -14.87172889231322
LiF -106.9906625964101
LiH -7.987180957039606
Mg -199.6142329065163
N -54.40017589867441
N2 -108.9908579848596
N2H4 -111.2328360929977
NH -54.97700699893048
NH2 -55.58516596028572
NH3 -56.22253619689485
NO -129.2984052333838
Na -161.8586764451329
Na2 -323.7159444905621
NaCl -621.4584958946538
O -74.81084355524594
O2 -149.6642168454166
OH -75.42060366285608
P -340.7183347139956
P2 -681.4969440916274
PH2 -341.8855049084376
PH3 -342.4920950130430
S -397.5066307289665
S2 -795.0890819100345
SO -472.3970417430064
SO2 -547.3104871767462
Si -288.8541070765065
Si2 -577.7785895475525
Si2H6 -581.3805126036702
SiH2_1A1 -290.0337555547579
SiH2_3B1 -290.0255204365699
SiH3 -290.6433817048963
SiH4 -291.2659988107308
SiO -363.8503079460282