species |
name |
calculated |
experimental |
difference |
C4H8O2 |
Butanoic acid |
6.838 |
|
|
C60 |
Buckminsterfullerene |
67.560 |
79.000 |
-11.440 |
C24H12 |
Coronene |
37.168 |
42.499 |
-5.331 |
C16H10 |
Pyrene |
24.536 |
29.720 |
-5.184 |
ClF3 |
Chlorine trifluoride |
2.672 |
7.483 |
-4.811 |
CH3CHClCH2CH3 |
Butane, 2-chloro- |
7.854 |
12.499 |
-4.646 |
C14H10 |
Anthracene |
22.214 |
26.700 |
-4.486 |
SiH3Cl |
chlorosilane |
4.650 |
9.113 |
-4.463 |
Al2Cl6 |
Aluminum, di-μ-chlorotetrachlorodi- |
13.490 |
17.886 |
-4.396 |
PBr3 |
Phosphorus tribromide |
10.082 |
14.380 |
-4.298 |
C6H5Br |
bromobenzene |
10.571 |
14.700 |
-4.129 |
ClF3 |
Chlorine trifluoride |
3.458 |
7.483 |
-4.026 |
GeCl4 |
Germanium Tetrachloride |
8.528 |
12.490 |
-3.963 |
CHBr3 |
bromoform |
8.002 |
11.840 |
-3.838 |
CH2ClCH2CH3 |
Propane, 1-chloro- |
6.224 |
10.000 |
-3.776 |
CH2ClCH2CH3 |
Propane, 1-chloro- |
6.283 |
10.000 |
-3.717 |
AsCl3 |
Arsenous trichloride |
7.907 |
11.370 |
-3.464 |
PCl3 |
Phosphorus trichloride |
7.177 |
10.634 |
-3.456 |
BBr3 |
Boron tribromide |
7.928 |
11.351 |
-3.423 |
SiCl4 |
Silane, tetrachloro- |
7.848 |
11.269 |
-3.421 |
CH2ClCH2CH2CH3 |
Butane, 1-chloro- |
7.889 |
11.301 |
-3.411 |
BCl3 |
Borane, trichloro- |
5.454 |
8.700 |
-3.246 |
CSe2 |
Carbon diselenide |
8.028 |
11.269 |
-3.242 |
CCl3CHO |
trichloroacetaldehyde |
7.283 |
10.500 |
-3.217 |
CH2ClCHCl2 |
1,1,2-trichloroethane |
7.168 |
10.260 |
-3.092 |
Cl2CS |
Thiophosgene |
6.551 |
9.573 |
-3.022 |
CCl4 |
Carbon tetrachloride |
6.989 |
10.002 |
-3.014 |
C5H12O |
1-Pentanol |
8.612 |
11.581 |
-2.969 |
(CH3)3CC(CH3)3 |
tetramethylbutane |
12.678 |
15.610 |
-2.932 |
CH2Br2 |
dibromomethane |
5.788 |
8.680 |
-2.892 |
C10H8 |
naphthalene |
14.549 |
17.400 |
-2.851 |
CH3CCl3 |
Ethane, 1,1,1-trichloro- |
7.283 |
10.120 |
-2.836 |
CS2 |
Carbon disulfide |
5.983 |
8.749 |
-2.765 |
CHCl2CHF2 |
1,1-dichloro-2,2-difluoroethane |
5.673 |
8.401 |
-2.728 |
C10H22 |
Decane |
16.374 |
19.100 |
-2.725 |
CFCl3 |
Trichloromonofluoromethane |
5.541 |
8.249 |
-2.709 |
C6H5CHO |
benzaldehyde |
10.170 |
12.800 |
-2.630 |
C6H5OCH3 |
Anisole |
10.473 |
13.100 |
-2.627 |
C9H20 |
Nonane |
14.744 |
17.370 |
-2.626 |
CHClCCl2 |
Trichloroethylene |
7.168 |
9.751 |
-2.582 |
CH2CHCHCH2 |
1,3-Butadiene |
6.310 |
8.881 |
-2.571 |
CHCl3 |
Chloroform |
5.565 |
8.129 |
-2.564 |
C6H15N |
triethylamine |
10.819 |
13.380 |
-2.561 |
CH3CHBrCH3 |
i-propyl bromide |
7.108 |
9.600 |
-2.492 |
C5H11Cl |
Pentane, 1-chloro- |
9.510 |
12.000 |
-2.490 |
C6H4Cl2 |
1,3-dichlorobenzene |
11.273 |
13.729 |
-2.456 |
N2O4 |
Dinitrogen tetroxide |
4.047 |
6.495 |
-2.448 |
CCl2O |
Phosgene |
4.352 |
6.790 |
-2.438 |
CH2Cl2 |
Methylene chloride |
4.227 |
6.659 |
-2.433 |
CHFCl2 |
fluorodichloromethane |
4.187 |
6.611 |
-2.424 |
C6H5CHCH2 |
Styrene |
12.003 |
14.409 |
-2.407 |
C2H3Br |
vinyl bromide |
5.193 |
7.590 |
-2.397 |
CHClCHCl |
Ethene, 1,2-dichloro-, (Z)- |
5.686 |
8.030 |
-2.344 |
HCCCl |
Chloroacetylene |
3.736 |
6.070 |
-2.333 |
C2H6O2S |
Dimethyl sulfone |
6.099 |
8.401 |
-2.302 |
CHClCHCl |
Ethene, 1,2-dichloro-, (E)- |
5.863 |
8.150 |
-2.288 |
C3F8 |
perfluoropropane |
4.267 |
6.525 |
-2.258 |
CF2Cl2 |
difluorodichloromethane |
4.127 |
6.370 |
-2.244 |
CH3CHCl2 |
Ethane, 1,1-dichloro- |
5.922 |
8.161 |
-2.238 |
CH2ClCH2Cl |
Ethane, 1,2-dichloro- |
5.791 |
8.000 |
-2.209 |
C6H5OH |
phenol |
8.727 |
10.909 |
-2.182 |
As4 |
Arsenic tetramer |
15.123 |
17.293 |
-2.171 |
C6H5NH2 |
aniline |
9.413 |
11.581 |
-2.167 |
C6H4O2 |
parabenzoquinone |
9.065 |
11.229 |
-2.164 |
C12H10 |
biphenyl |
17.493 |
19.640 |
-2.148 |
BrCN |
Cyanogen bromide |
3.685 |
5.824 |
-2.139 |
C6H5NO2 |
Nitrobenzene |
10.121 |
12.259 |
-2.139 |
Br2 |
Bromine diatomic |
4.294 |
6.431 |
-2.137 |
CF3Br |
Bromotrifluoromethane |
3.520 |
5.650 |
-2.131 |
C6H5Cl |
chlorobenzene |
9.733 |
11.861 |
-2.128 |
C8H18 |
Octane |
13.118 |
15.239 |
-2.121 |
CH2CCl2 |
Ethene, 1,1-dichloro- |
5.761 |
7.830 |
-2.069 |
CH2ClCH2Cl |
Ethane, 1,2-dichloro- |
5.932 |
8.000 |
-2.069 |
SeF6 |
Selenium hexafluoride |
3.253 |
5.320 |
-2.067 |
CH2CHCHCH2 |
1,3-Butadiene |
6.825 |
8.881 |
-2.056 |
C6H5F |
Fluorobenzene |
8.161 |
10.200 |
-2.039 |
C5H12 |
Propane, 2,2-dimethyl- |
8.206 |
10.240 |
-2.034 |
C3H8O2 |
Methane, dimethoxy- |
5.695 |
7.700 |
-2.005 |
CH2FCH2Cl |
Ethane, 1-chloro-2-fluoro- |
4.501 |
6.499 |
-1.998 |
CH3CCl(CH3)CH3 |
Propane, 2-chloro-2-methyl- |
7.887 |
9.879 |
-1.992 |
BeH2 |
beryllium dihydride |
2.349 |
4.340 |
-1.991 |
C6H10O |
cyclohexanone |
9.070 |
11.061 |
-1.990 |
C3H7OC3H7 |
di-n-propyl ether |
10.241 |
12.219 |
-1.978 |
C2H3Cl |
Ethene, chloro- |
4.433 |
6.410 |
-1.977 |
CH3CH2CH2Br |
n-propyl bromide |
7.094 |
9.070 |
-1.976 |
CH2FCH2Cl |
Ethane, 1-chloro-2-fluoro- |
4.536 |
6.499 |
-1.963 |
C5H12O |
Propane, 1-ethoxy- |
8.723 |
10.680 |
-1.956 |
C5H5N |
Pyridine |
7.538 |
9.493 |
-1.955 |
CH3CH2Cl |
Ethyl chloride |
4.662 |
6.590 |
-1.928 |
P4 |
Phosphorus tetramer |
11.662 |
13.589 |
-1.927 |
H2Se |
Hydrogen selenide |
2.848 |
4.770 |
-1.922 |
C2H8N2 |
Ethylenediamine |
5.280 |
7.200 |
-1.921 |
C5H10O |
3-Pentanone |
8.019 |
9.930 |
-1.911 |
C6H10 |
1-Hexyne |
9.000 |
10.900 |
-1.901 |
C6H12 |
hex-1-ene |
9.750 |
11.650 |
-1.900 |
C3H7OC3H7 |
di-n-propyl ether |
10.326 |
12.219 |
-1.893 |
CH3SCH3 |
Dimethyl sulfide |
5.661 |
7.550 |
-1.889 |
CH2ClCH2OH |
2-Chloroethanol |
4.993 |
6.880 |
-1.887 |
Cl2 |
Chlorine diatomic |
2.728 |
4.610 |
-1.882 |
CH3Br |
methyl bromide |
3.735 |
5.610 |
-1.875 |
C7H16 |
heptane |
11.497 |
13.371 |
-1.873 |
C6H12 |
Cyclohexane |
9.127 |
11.000 |
-1.873 |
C10H16 |
adamantane |
14.065 |
15.930 |
-1.864 |
CF3Cl |
Methane, chlorotrifluoro- |
2.797 |
4.650 |
-1.853 |
C3H7NO |
dimethylformamide |
5.960 |
7.809 |
-1.850 |
C5H10O |
2-Pentanone |
8.084 |
9.930 |
-1.846 |
CH3SOCH3 |
Dimethyl sulfoxide |
6.124 |
7.969 |
-1.845 |
C3H8O3 |
1,2,3-Propanetriol |
6.016 |
7.860 |
-1.843 |
C2H5Br |
Ethyl bromide |
5.439 |
7.280 |
-1.842 |
C6H5CH3 |
toluene |
10.021 |
11.861 |
-1.840 |
C3H8O2 |
Methane, dimethoxy- |
5.865 |
7.700 |
-1.834 |
CH3CH2CH2CN |
Butanenitrile |
6.570 |
8.400 |
-1.830 |
PF3 |
Phosphorus trifluoride |
2.587 |
4.414 |
-1.828 |
C2H4S |
Thiirane |
5.085 |
6.910 |
-1.824 |
C4H6O2 |
2,3-Butanedione |
6.379 |
8.201 |
-1.821 |
CH3CH2SH |
ethanethiol |
5.570 |
7.380 |
-1.810 |
C5H11N |
Piperidine |
8.527 |
10.320 |
-1.793 |
C6H12 |
Cyclohexane |
9.211 |
11.000 |
-1.789 |
C4H5N |
Pyrrole |
6.152 |
7.940 |
-1.788 |
CH3CH2SH |
ethanethiol |
5.593 |
7.380 |
-1.787 |
C4H10O |
Methyl propyl ether |
7.078 |
8.860 |
-1.782 |
C5H8O |
Cyclopentanone |
7.477 |
9.250 |
-1.772 |
C3H4N2 |
1H-Pyrazole |
5.460 |
7.230 |
-1.770 |
C3H7ONO |
Propyl nitrite |
6.733 |
8.500 |
-1.767 |
C4H8O2 |
Ethyl acetate |
6.861 |
8.620 |
-1.759 |
CH3CH(NH2)CH3 |
2-Propanamine |
6.012 |
7.769 |
-1.757 |
C6H14 |
Hexane |
9.883 |
11.630 |
-1.746 |
CH3CH2COOH |
Propanoic Acid |
5.216 |
6.960 |
-1.745 |
C2F6 |
hexafluoroethane |
2.932 |
4.668 |
-1.736 |
HBr |
hydrogen bromide |
1.883 |
3.616 |
-1.733 |
C5H11N |
Piperidine |
8.587 |
10.320 |
-1.732 |
C3H7ONO |
Propyl nitrite |
6.770 |
8.500 |
-1.730 |
CHOCHCHCH3 |
2-Butenal |
6.779 |
8.500 |
-1.721 |
NH2CH2CH2CH3 |
1-Propanamine |
5.984 |
7.700 |
-1.715 |
C4H4O2 |
2-Oxetanone, 4-methylene- |
6.287 |
8.000 |
-1.713 |
CH3COCH2CH3 |
2-Butanone |
6.479 |
8.190 |
-1.711 |
C4H4O |
Furan |
5.519 |
7.230 |
-1.711 |
C5H10 |
2-Pentene, (E)- |
8.135 |
9.839 |
-1.705 |
C6H6 |
Benzene |
8.260 |
9.959 |
-1.699 |
OCS |
Carbonyl sulfide |
3.402 |
5.090 |
-1.688 |
SF6 |
Sulfur Hexafluoride |
2.812 |
4.490 |
-1.678 |
C4H8O2 |
1,4-Dioxane |
6.765 |
8.430 |
-1.666 |
C6H5CN |
phenyl cyanide |
10.315 |
11.981 |
-1.666 |
CHCCH2CH3 |
1-Butyne |
5.744 |
7.410 |
-1.666 |
C4H4S |
Thiophene |
7.346 |
9.010 |
-1.664 |
C3H4N2 |
1H-Imidazole |
5.430 |
7.090 |
-1.660 |
CF3CHF2 |
pentafluoroethane |
2.975 |
4.623 |
-1.648 |
CHOCH2CH2CH3 |
Butanal |
6.541 |
8.180 |
-1.638 |
C6F6 |
hexafluorobenzene |
7.948 |
9.580 |
-1.633 |
GeF4 |
Germanium tetrafluoride |
2.431 |
4.050 |
-1.619 |
P |
Phosphorus atom |
2.013 |
3.630 |
-1.617 |
C4H10O |
Ethoxy ethane |
7.127 |
8.730 |
-1.602 |
C3H6O3 |
1,3,5-Trioxane |
5.418 |
7.020 |
-1.602 |
C4H10O |
2-Butanol, (.+/-.)- |
6.968 |
8.570 |
-1.601 |
C5H12 |
Pentane |
8.280 |
9.879 |
-1.599 |
CH2CHCH2CH2CH3 |
1-pentene |
8.057 |
9.650 |
-1.593 |
CH2CHCHO |
Acrolein |
4.802 |
6.379 |
-1.577 |
CH3COOCH3 |
methyl acetate |
5.234 |
6.811 |
-1.577 |
CH2FCl |
fluorochloromethane |
2.934 |
4.509 |
-1.575 |
CH3CCCH3 |
2-Butyne |
5.907 |
7.480 |
-1.573 |
CHF2Cl |
difluorochloromethane |
2.870 |
4.440 |
-1.570 |
HCOOC2H5 |
Ethyl formate |
5.312 |
6.880 |
-1.568 |
Si2H6 |
disilane |
7.858 |
9.410 |
-1.552 |
C4H10O |
1-Butanol |
7.019 |
8.570 |
-1.551 |
C5H10 |
Cyclopentane |
7.626 |
9.170 |
-1.544 |
C3F6 |
hexafluoropropene |
4.302 |
5.838 |
-1.537 |
CH3CH(CH3)CN |
Propanenitrile, 2-methyl- |
6.529 |
8.049 |
-1.520 |
C2H6O2 |
1,2-Ethanediol |
4.190 |
5.710 |
-1.520 |
CH2CHCH2CH2CH3 |
1-pentene |
8.131 |
9.650 |
-1.518 |
C5H9N |
Propanenitrile, 2,2-dimethyl- |
8.077 |
9.591 |
-1.514 |
CF3CH2F |
1,1,1,2-tetrafluoroethane |
3.039 |
4.549 |
-1.510 |
C2H5SC2H5 |
Diethyl sulfide |
9.045 |
10.549 |
-1.504 |
CH3COOH |
Acetic acid |
3.681 |
5.149 |
-1.469 |
SO3 |
Sulfur trioxide |
2.831 |
4.297 |
-1.466 |
CH3CCH |
propyne |
4.096 |
5.550 |
-1.454 |
AsH3 |
Arsine |
4.015 |
5.468 |
-1.453 |
CH3CONH2 |
Acetamide |
4.216 |
5.670 |
-1.453 |
C4H5N |
(E)-2-Butenenitrile |
6.749 |
8.201 |
-1.452 |
H2S |
Hydrogen sulfide |
2.180 |
3.631 |
-1.451 |
CH3CH2NH2 |
Ethylamine |
4.420 |
5.870 |
-1.449 |
C4H2 |
Diacetylene |
5.389 |
6.811 |
-1.421 |
CH3Cl |
Methyl chloride |
3.001 |
4.416 |
-1.415 |
CH2CHCHO |
Acrolein |
4.969 |
6.379 |
-1.411 |
CH2C(CH3)CH3 |
1-Propene, 2-methyl- |
6.483 |
7.880 |
-1.397 |
CH3CH2CHO |
Propanal |
4.964 |
6.350 |
-1.385 |
F2SO |
Thionyl Fluoride |
2.558 |
3.927 |
-1.369 |
CH3OCHO |
methyl formate |
3.687 |
5.050 |
-1.363 |
CHONH2 |
formamide |
2.720 |
4.080 |
-1.359 |
C2N2 |
Cyanogen |
3.656 |
5.015 |
-1.359 |
CHONH2 |
formamide |
2.726 |
4.080 |
-1.353 |
Cl |
Chlorine atom |
0.829 |
2.180 |
-1.351 |
CH2CO |
Ketene |
3.050 |
4.400 |
-1.350 |
SO2 |
Sulfur dioxide |
2.541 |
3.882 |
-1.341 |
CH3CH(CH3)CH3 |
Isobutane |
6.670 |
8.009 |
-1.339 |
CH3CH2CH2CH3 |
Butane |
6.691 |
8.020 |
-1.328 |
CH2CHCH2CH3 |
1-Butene |
6.508 |
7.830 |
-1.322 |
CH3COCH3 |
Acetone |
4.951 |
6.270 |
-1.319 |
CH3NO2 |
Methane, nitro- |
3.485 |
4.800 |
-1.315 |
CH3OCH3 |
Dimethyl ether |
3.867 |
5.160 |
-1.293 |
C2H5CN |
ethyl cyanide |
4.960 |
6.240 |
-1.280 |
CH3CF3 |
Ethane, 1,1,1-trifluoro- |
3.122 |
4.400 |
-1.278 |
N2H4 |
Hydrazine |
2.182 |
3.460 |
-1.278 |
CH3CHCHCH3 |
2-Butene, (E)- |
6.604 |
7.880 |
-1.277 |
CH3SH |
Methanethiol |
3.925 |
5.186 |
-1.261 |
C3H5Cl |
1-Propene, 3-chloro- |
6.143 |
7.400 |
-1.257 |
PF5 |
Phosphorus pentafluoride |
2.395 |
3.650 |
-1.255 |
HCl |
Hydrogen chloride |
1.260 |
2.515 |
-1.255 |
CH3CH2OH |
Ethanol |
3.873 |
5.112 |
-1.239 |
C3H7OH |
1-Propanol |
5.433 |
6.670 |
-1.237 |
CH3CHOHCH3 |
Isopropyl alcohol |
5.435 |
6.670 |
-1.234 |
C3H7OH |
1-Propanol |
5.437 |
6.670 |
-1.233 |
NF3 |
Nitrogen trifluoride |
1.577 |
2.810 |
-1.233 |
SiF4 |
Silicon tetrafluoride |
2.114 |
3.319 |
-1.205 |
CF4 |
Carbon tetrafluoride |
1.620 |
2.824 |
-1.205 |
O3 |
Ozone |
1.931 |
3.079 |
-1.148 |
HCOOH |
Formic acid |
2.178 |
3.319 |
-1.141 |
CHF3 |
Methane, trifluoro- |
1.663 |
2.801 |
-1.138 |
CH2CHCH3 |
Propene |
4.861 |
5.990 |
-1.129 |
C2H2 |
Acetylene |
2.362 |
3.487 |
-1.125 |
C3H6 |
Cyclopropane |
4.526 |
5.640 |
-1.114 |
C2H4O |
Ethylene oxide |
3.320 |
4.431 |
-1.111 |
HCOOH |
Formic acid |
2.210 |
3.319 |
-1.109 |
NO2 |
Nitrogen dioxide |
1.824 |
2.910 |
-1.086 |
Ar |
Argon atom |
0.578 |
1.664 |
-1.086 |
N2O |
Nitrous oxide |
1.937 |
2.998 |
-1.061 |
N(CH3)3 |
Trimethylamine |
6.031 |
7.076 |
-1.045 |
CH2F2 |
Methane, difluoro- |
1.723 |
2.761 |
-1.037 |
CH3NHCH3 |
Dimethylamine |
4.428 |
5.447 |
-1.019 |
SiH4 |
Silane |
3.767 |
4.777 |
-1.010 |
C2H4 |
Ethylene |
3.183 |
4.188 |
-1.005 |
BF3 |
Borane, trifluoro- |
1.435 |
2.420 |
-0.985 |
CH3NH2 |
methyl amine |
2.815 |
3.754 |
-0.938 |
CH3OH |
Methyl alcohol |
2.272 |
3.210 |
-0.938 |
CH3CN |
Acetonitrile |
3.371 |
4.280 |
-0.909 |
H2CO |
Formaldehyde |
1.866 |
2.770 |
-0.903 |
C3H2N2 |
Malononitrile |
4.889 |
5.790 |
-0.901 |
CH2CCH2 |
allene |
4.815 |
5.690 |
-0.875 |
PH3 |
Phosphine |
3.365 |
4.237 |
-0.872 |
NH3 |
Ammonia |
1.231 |
2.103 |
-0.872 |
CO2 |
Carbon dioxide |
1.657 |
2.507 |
-0.850 |
CH3CHO |
Acetaldehyde |
3.449 |
4.278 |
-0.829 |
C3H8 |
Propane |
5.111 |
5.921 |
-0.811 |
HCN |
Hydrogen cyanide |
1.789 |
2.593 |
-0.805 |
C2H5F |
fluoroethane |
3.384 |
4.164 |
-0.780 |
H2O |
Water |
0.727 |
1.501 |
-0.774 |
B3N3H6 |
borazine |
7.246 |
8.000 |
-0.754 |
C2H6 |
Ethane |
3.477 |
4.226 |
-0.749 |
CH3F |
Methyl fluoride |
1.817 |
2.540 |
-0.723 |
FCN |
Cyanogen fluoride |
1.829 |
2.550 |
-0.721 |
O2 |
Oxygen diatomic |
0.864 |
1.562 |
-0.698 |
C2H6 |
Ethane |
3.530 |
4.226 |
-0.696 |
B2H6 |
Diborane |
4.436 |
5.115 |
-0.679 |
NO |
Nitric oxide |
1.040 |
1.698 |
-0.658 |
C5H8 |
Spiropentane |
7.391 |
8.049 |
-0.658 |
N2 |
Nitrogen diatomic |
1.079 |
1.710 |
-0.631 |
CO |
Carbon monoxide |
1.348 |
1.953 |
-0.605 |
GeH4 |
Germane |
4.182 |
4.770 |
-0.588 |
CO |
Carbon monoxide |
1.375 |
1.953 |
-0.578 |
O2 |
Oxygen diatomic |
0.998 |
1.562 |
-0.564 |
C5H12 |
Butane, 2-methyl- |
8.213 |
8.770 |
-0.556 |
B |
Boron atom |
2.498 |
3.030 |
-0.532 |
CH4 |
Methane |
1.928 |
2.448 |
-0.520 |
N2 |
Nitrogen diatomic |
1.197 |
1.710 |
-0.513 |
F2 |
Fluorine diatomic |
0.667 |
1.160 |
-0.493 |
HF |
Hydrogen fluoride |
0.344 |
0.800 |
-0.456 |
HD |
Deuterium hydride |
0.438 |
0.791 |
-0.353 |
H2 |
Hydrogen diatomic |
0.438 |
0.787 |
-0.350 |
D2 |
Deuterium diatomic |
0.438 |
0.783 |
-0.346 |
Ne |
Neon atom |
0.072 |
0.381 |
-0.309 |
H2+ |
Hydrogen cation |
0.327 |
0.469 |
-0.143 |
Li |
Lithium atom |
24.891 |
24.330 |
0.561 |
C10H8 |
Azulene |
16.311 |
15.520 |
0.791 |
Be |
Beryllium atom |
6.531 |
5.600 |
0.931 |
Mg |
Magnesium atom |
11.857 |
10.600 |
1.257 |
CaO |
Calcium monoxide |
4.504 |
2.841 |
1.664 |
Na |
Sodium atom |
27.750 |
24.110 |
3.640 |
MgO |
magnesium oxide |
10.475 |
1.750 |
8.725 |