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Computational Chemistry Comparison and Benchmark DataBase
Release 22May 2022
NIST Standard Reference Database 101
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III.G.11.

Comparison of polarizabilities for HF/Def2TZVPP

species name calculated experimental difference
C4H8O2 Butanoic acid 7.553    
NaLi lithium sodium 33.809 39.999 -6.191
NaLi lithium sodium 33.809 39.999 -6.191
ClF3 Chlorine trifluoride 2.996 7.483 -4.487
SiH3Cl chlorosilane 5.249 9.113 -3.865
SiH3Cl chlorosilane 5.249 9.113 -3.864
ClF3 Chlorine trifluoride 3.668 7.483 -3.815
CH3CHClCH2CH3 Butane, 2-chloro- 8.701 12.499 -3.799
TiCl4 Titanium tetrachloride 11.648 15.001 -3.353
CH2ClCH2CH3 Propane, 1-chloro- 6.985 10.000 -3.015
C16H10 Pyrene 26.750 29.720 -2.970
CH2ClCH2CH3 Propane, 1-chloro- 7.059 10.000 -2.941
Al2Cl6 Aluminum, di-μ-chlorotetrachlorodi- 15.318 17.886 -2.567
CH2ClCH2CH2CH3 Butane, 1-chloro- 8.762 11.301 -2.538
C6H5Br bromobenzene 12.213 14.700 -2.486
PBr3 Phosphorus tribromide 11.941 14.380 -2.439
C14H10 Anthracene 24.269 26.700 -2.431
GeCl4 Germanium Tetrachloride 10.102 12.490 -2.389
PCl3 Phosphorus trichloride 8.249 10.634 -2.384
C24H12 Coronene 40.165 42.499 -2.334
AsCl3 Arsenous trichloride 9.085 11.370 -2.285
C5H12O 1-Pentanol 9.317 11.581 -2.264
(CH3)3CC(CH3)3 tetramethylbutane 13.500 15.610 -2.110
(CH3)3CC(CH3)3 tetramethylbutane 13.502 15.610 -2.108
BCl3 Borane, trichloro- 6.708 8.700 -1.992
BCl3 Borane, trichloro- 6.709 8.700 -1.991
SiCl4 Silane, tetrachloro- 9.294 11.269 -1.976
CCl3CHO trichloroacetaldehyde 8.607 10.500 -1.893
CHBr3 bromoform 10.006 11.840 -1.834
C2H6O2S Dimethyl sulfone 6.627 8.401 -1.774
BeH2 beryllium dihydride 2.569 4.340 -1.771
CH2ClCHCl2 1,1,2-trichloroethane 8.490 10.260 -1.771
Cl2CS Thiophosgene 7.815 9.573 -1.758
CH2CHCHCH2 1,3-Butadiene 7.137 8.881 -1.743
N2O4 Dinitrogen tetroxide 4.760 6.495 -1.735
N2O4 Dinitrogen tetroxide 4.761 6.495 -1.734
C14H10 Phenanthrene 23.055 24.779 -1.725
C6H15N triethylamine 11.657 13.380 -1.722
C10H22 Decane 17.426 19.100 -1.673
C9H20 Nonane 15.704 17.370 -1.666
CHCl2CHF2 1,1-dichloro-2,2-difluoroethane 6.799 8.401 -1.601
CCl4 Carbon tetrachloride 8.417 10.002 -1.585
CCl4 Carbon tetrachloride 8.417 10.002 -1.585
CH3CCl3 Ethane, 1,1,1-trichloro- 8.535 10.120 -1.585
SeF6 Selenium hexafluoride 3.749 5.320 -1.571
CH2Cl2 Methylene chloride 5.131 6.659 -1.528
CH2Cl2 Methylene chloride 5.131 6.659 -1.528
CS2 Carbon disulfide 7.221 8.749 -1.528
CS2 Carbon disulfide 7.222 8.749 -1.527
C5H11Cl Pentane, 1-chloro- 10.478 12.000 -1.522
HCCCl Chloroacetylene 4.590 6.070 -1.479
CCl2O Phosgene 5.319 6.790 -1.471
CFCl3 Trichloromonofluoromethane 6.791 8.249 -1.458
CH3CHBrCH3 i-propyl bromide 8.146 9.600 -1.454
CHFCl2 fluorodichloromethane 5.161 6.611 -1.449
HI Hydrogen iodide 4.020 5.453 -1.433
HI Hydrogen iodide 4.020 5.453 -1.433
C5H12 Propane, 2,2-dimethyl- 8.813 10.240 -1.426
C4H4N2O2 Uracil 8.684 10.090 -1.406
PF3 Phosphorus trifluoride 3.011 4.414 -1.404
C6H5OCH3 Anisole 11.700 13.100 -1.399
CH2Br2 dibromomethane 7.287 8.680 -1.393
CH2Br2 dibromomethane 7.287 8.680 -1.393
C6H10O cyclohexanone 9.675 11.061 -1.386
C6H5CHO benzaldehyde 11.416 12.800 -1.384
C6H5CHO benzaldehyde 11.416 12.800 -1.384
BBr3 Boron tribromide 9.972 11.351 -1.379
CHCl3 Chloroform 6.755 8.129 -1.374
CHCl3 Chloroform 6.755 8.129 -1.374
CSe2 Carbon diselenide 9.907 11.269 -1.362
C6H12 Cyclohexane 9.642 11.000 -1.358
C10H16 adamantane 14.620 15.930 -1.309
C3H8O2 Methane, dimethoxy- 6.398 7.700 -1.302
C2H3Br vinyl bromide 6.289 7.590 -1.301
C6H12 Cyclohexane 9.710 11.000 -1.290
CH3SOCH3 Dimethyl sulfoxide 6.689 7.969 -1.281
C10H8 naphthalene 16.121 17.400 -1.279
CH2FCH2Cl Ethane, 1-chloro-2-fluoro- 5.230 6.499 -1.270
Cl2 Chlorine diatomic 3.341 4.610 -1.269
CHClCHCl Ethene, 1,2-dichloro-, (Z)- 6.773 8.030 -1.257
CH3CH2Cl Ethyl chloride 5.334 6.590 -1.256
C2H8N2 Ethylenediamine 5.948 7.200 -1.253
C8H18 Octane 13.988 15.239 -1.252
CH3CHCl2 Ethane, 1,1-dichloro- 6.909 8.161 -1.251
C5H12O Propane, 1-ethoxy- 9.447 10.680 -1.233
CH3C6H4CH3 paraxylene 13.035 14.260 -1.225
C3H7NO dimethylformamide 6.585 7.809 -1.224
SF6 Sulfur Hexafluoride 3.267 4.490 -1.223
SF6 Sulfur Hexafluoride 3.268 4.490 -1.222
CHClCCl2 Trichloroethylene 8.541 9.751 -1.210
CH3CH2CH2CN Butanenitrile 7.192 8.400 -1.208
C5H8O Cyclopentanone 8.042 9.250 -1.207
C3F8 perfluoropropane 5.318 6.525 -1.206
C5H11N Piperidine 9.116 10.320 -1.204
CH2CHCHCH2 1,3-Butadiene 7.677 8.881 -1.203
CH2ClCH2Cl Ethane, 1,2-dichloro- 6.800 8.000 -1.200
Si2H6 disilane 8.210 9.410 -1.200
CH3SCH3 Dimethyl sulfide 6.351 7.550 -1.199
CH3SCH3 Dimethyl sulfide 6.352 7.550 -1.198
CF2Cl2 difluorodichloromethane 5.174 6.370 -1.197
C5H10O 3-Pentanone 8.733 9.930 -1.196
CF2Cl2 difluorodichloromethane 5.174 6.370 -1.196
GeF4 Germanium tetrafluoride 2.858 4.050 -1.192
GeF4 Germanium tetrafluoride 2.858 4.050 -1.192
CH3CH(NH2)CH3 2-Propanamine 6.581 7.769 -1.188
CHClCHCl Ethene, 1,2-dichloro-, (E)- 6.967 8.150 -1.183
C3H7OC3H7 di-n-propyl ether 11.043 12.219 -1.177
C3H7NO dimethylformamide 6.634 7.809 -1.175
C2H3Cl Ethene, chloro- 5.236 6.410 -1.174
C3H7NO dimethylformamide 6.635 7.809 -1.174
BrCN Cyanogen bromide 4.659 5.824 -1.164
BrCN Cyanogen bromide 4.659 5.824 -1.164
CH3I methyl iodide 6.162 7.325 -1.163
CH3I methyl iodide 6.162 7.325 -1.162
CH3CCl(CH3)CH3 Propane, 2-chloro-2-methyl- 8.722 9.879 -1.157
C5H11N Piperidine 9.165 10.320 -1.154
C5H10O 2-Pentanone 8.778 9.930 -1.152
C5H10O 2-Pentanone 8.778 9.930 -1.152
C2H4S Thiirane 5.761 6.910 -1.149
C4H10O Methyl propyl ether 7.715 8.860 -1.145
C3H8O2 Methane, dimethoxy- 6.556 7.700 -1.144
NH2CH2CH2CH3 1-Propanamine 6.573 7.700 -1.127
SO3 Sulfur trioxide 3.184 4.297 -1.114
SO3 Sulfur trioxide 3.184 4.297 -1.113
As4 Arsenic tetramer 16.180 17.293 -1.113
CH3CH2SH ethanethiol 6.270 7.380 -1.109
CH3CH2COOH Propanoic Acid 5.852 6.960 -1.109
As4 Arsenic tetramer 16.185 17.293 -1.109
CH2ClCH2OH 2-Chloroethanol 5.779 6.880 -1.101
P4 Phosphorus tetramer 12.493 13.589 -1.096
C7H16 heptane 12.277 13.371 -1.094
CH3COCH2CH3 2-Butanone 7.099 8.190 -1.091
CH3COCH2CH3 2-Butanone 7.100 8.190 -1.090
C3H8O3 1,2,3-Propanetriol 6.771 7.860 -1.089
CH3CH2SH ethanethiol 6.293 7.380 -1.087
C4H6O2 2,3-Butanedione 7.115 8.201 -1.086
C4H6O2 2,3-Butanedione 7.115 8.201 -1.085
C4H6O2 2,3-Butanedione 7.116 8.201 -1.085
C3H7OC3H7 di-n-propyl ether 11.137 12.219 -1.082
H2Se Hydrogen selenide 3.696 4.770 -1.074
C4H8O2 1,4-Dioxane 7.359 8.430 -1.071
C6H4O2 parabenzoquinone 10.164 11.229 -1.065
C5H10 Cyclopentane 8.105 9.170 -1.065
C3H7ONO Propyl nitrite 7.437 8.500 -1.063
CF3Br Bromotrifluoromethane 4.591 5.650 -1.059
CF3Br Bromotrifluoromethane 4.592 5.650 -1.058
CF3Cl Methane, chlorotrifluoro- 3.594 4.650 -1.057
C6H12 hex-1-ene 10.594 11.650 -1.056
CF3Cl Methane, chlorotrifluoro- 3.594 4.650 -1.056
CH2ClCH2Cl Ethane, 1,2-dichloro- 6.945 8.000 -1.055
C6H14 Hexane 10.575 11.630 -1.055
C6H5OH phenol 9.875 10.909 -1.035
C4H8O2 Ethyl acetate 7.588 8.620 -1.032
CHOCH2CH2CH3 Butanal 7.152 8.180 -1.028
C3H7ONO Propyl nitrite 7.480 8.500 -1.020
C6H10 1-Hexyne 9.882 10.900 -1.018
C6H5CHCH2 Styrene 13.410 14.409 -0.999
C5H12 Pentane 8.881 9.879 -0.998
Br2 Bromine diatomic 5.436 6.431 -0.995
Br2 Bromine diatomic 5.437 6.431 -0.994
Xe Xenon atom 3.011 4.005 -0.994
P Phosphorus atom 2.639 3.630 -0.991
CH2CCl2 Ethene, 1,1-dichloro- 6.840 7.830 -0.990
F2SO Thionyl Fluoride 2.938 3.927 -0.989
C5H10 2-Pentene, (E)- 8.851 9.839 -0.988
SO2 Sulfur dioxide 2.902 3.882 -0.980
SO2 Sulfur dioxide 2.902 3.882 -0.980
C2H6O2 1,2-Ethanediol 4.731 5.710 -0.979
CH3Br methyl bromide 4.638 5.610 -0.972
C4H10O 2-Butanol, (.+/-.)- 7.598 8.570 -0.972
CH3Br methyl bromide 4.638 5.610 -0.972
CHOCHCHCH3 2-Butenal 7.531 8.500 -0.969
C4H10O Ethoxy ethane 7.763 8.730 -0.966
C5H5N Pyridine 8.527 9.493 -0.966
C4H10O Ethoxy ethane 7.764 8.730 -0.966
CHCCH2CH3 1-Butyne 6.448 7.410 -0.962
C6H5F Fluorobenzene 9.240 10.200 -0.960
C2F6 hexafluoroethane 3.711 4.668 -0.957
H2S Hydrogen sulfide 2.677 3.631 -0.954
HBr hydrogen bromide 2.662 3.616 -0.954
H2S Hydrogen sulfide 2.677 3.631 -0.954
CF3CHF2 pentafluoroethane 3.670 4.623 -0.953
CH3CH2NH2 Ethylamine 4.917 5.870 -0.953
C6H5NH2 aniline 10.638 11.581 -0.942
C4H10O 1-Butanol 7.631 8.570 -0.938
HCOOC2H5 Ethyl formate 5.943 6.880 -0.937
C4H10O 1-Butanol 7.634 8.570 -0.936
C4H4O2 2-Oxetanone, 4-methylene- 7.070 8.000 -0.930
CH3COOH Acetic acid 4.224 5.149 -0.926
CH3COOCH3 methyl acetate 5.885 6.811 -0.925
CH2FCl fluorochloromethane 3.584 4.509 -0.925
CH2CHCHO Acrolein 5.468 6.379 -0.911
C3H4N2 1H-Pyrazole 6.320 7.230 -0.910
CH3CH(CH3)CN Propanenitrile, 2-methyl- 7.149 8.049 -0.901
CF3CH2F 1,1,1,2-tetrafluoroethane 3.649 4.549 -0.900
C3H6O3 1,3,5-Trioxane 6.121 7.020 -0.898
CH3CH2CH2Br n-propyl bromide 8.175 9.070 -0.895
CH3CCCH3 2-Butyne 6.586 7.480 -0.895
C4H4O Furan 6.354 7.230 -0.876
C4H4O Furan 6.355 7.230 -0.875
OCS Carbonyl sulfide 4.216 5.090 -0.874
OCS Carbonyl sulfide 4.216 5.090 -0.874
CH3CH2CH2CH3 Butane 7.146 8.020 -0.874
C2H5Br Ethyl bromide 6.411 7.280 -0.869
C2H5Br Ethyl bromide 6.412 7.280 -0.868
CH3CH2CHO Propanal 5.485 6.350 -0.865
CH2CHCH2CH2CH3 1-pentene 8.785 9.650 -0.865
C4H5N Pyrrole 7.087 7.940 -0.853
CH3CONH2 Acetamide 4.819 5.670 -0.851
CHONH2 formamide 3.230 4.080 -0.850
CHONH2 formamide 3.230 4.080 -0.849
C6H5NO2 Nitrobenzene 11.417 12.259 -0.842
AsH3 Arsine 4.626 5.468 -0.842
CHF2Cl difluorochloromethane 3.598 4.440 -0.841
CH3Cl Methyl chloride 3.580 4.416 -0.836
CH3Cl Methyl chloride 3.580 4.416 -0.836
CH3CCH propyne 4.715 5.550 -0.835
CH3CCH propyne 4.715 5.550 -0.835
CH3CH(CH3)CH3 Isobutane 7.184 8.009 -0.825
CH3OCH3 Dimethyl ether 4.335 5.160 -0.825
CH3OCH3 Dimethyl ether 4.336 5.160 -0.824
C2N2 Cyanogen 4.192 5.015 -0.823
SiF4 Silicon tetrafluoride 2.502 3.319 -0.817
CH3CH2CH2CH3 Butane 7.203 8.020 -0.817
PF5 Phosphorus pentafluoride 2.834 3.650 -0.815
PF5 Phosphorus pentafluoride 2.835 3.650 -0.815
C5H9N Propanenitrile, 2,2-dimethyl- 8.780 9.591 -0.811
N2H4 Hydrazine 2.650 3.460 -0.810
CH3OCHO methyl formate 4.242 5.050 -0.808
C3H4N2 1H-Imidazole 6.283 7.090 -0.806
CH3CH2OH Ethanol 4.308 5.112 -0.804
CH3CH2OH Ethanol 4.309 5.112 -0.804
NF3 Nitrogen trifluoride 2.008 2.810 -0.802
NF3 Nitrogen trifluoride 2.008 2.810 -0.801
C6H4Cl2 1,3-dichlorobenzene 12.931 13.729 -0.798
CH3COCH3 Acetone 5.472 6.270 -0.798
CH3COCH3 Acetone 5.472 6.270 -0.798
CH3COCH3 Acetone 5.472 6.270 -0.797
HCl Hydrogen chloride 1.722 2.515 -0.793
HCl Hydrogen chloride 1.722 2.515 -0.793
CH2CO Ketene 3.627 4.400 -0.772
CH3NO2 Methane, nitro- 4.028 4.800 -0.772
CH2CO Ketene 3.628 4.400 -0.772
C6H5Cl chlorobenzene 11.090 11.861 -0.770
CH2CHCH2CH2CH3 1-pentene 8.886 9.650 -0.764
C2H5CN ethyl cyanide 5.491 6.240 -0.749
C2H5CN ethyl cyanide 5.491 6.240 -0.749
CH3COCH3 Acetone 5.534 6.270 -0.736
CH3CF3 Ethane, 1,1,1-trifluoro- 3.668 4.400 -0.732
CH2CHCHO Acrolein 5.649 6.379 -0.730
C2H4O Ethylene oxide 3.701 4.431 -0.730
C2H4O Ethylene oxide 3.701 4.431 -0.729
CH2CHCHO Acrolein 5.650 6.379 -0.729
CH2C(CH3)CH3 1-Propene, 2-methyl- 7.162 7.880 -0.718
C3H7OH 1-Propanol 5.954 6.670 -0.716
CF4 Carbon tetrafluoride 2.115 2.824 -0.709
C3H7OH 1-Propanol 5.962 6.670 -0.708
C6H5CH3 toluene 11.153 11.861 -0.707
O3 Ozone 2.373 3.079 -0.706
CH3CHOHCH3 Isopropyl alcohol 5.965 6.670 -0.705
SiH4 Silane 4.074 4.777 -0.703
C4H5N (E)-2-Butenenitrile 7.498 8.201 -0.702
SiH4 Silane 4.076 4.777 -0.702
CHF3 Methane, trifluoro- 2.099 2.801 -0.701
CHF3 Methane, trifluoro- 2.100 2.801 -0.701
HCOOH Formic acid 2.619 3.319 -0.701
HCOOH Formic acid 2.619 3.319 -0.700
NO2 Nitrogen dioxide 2.219 2.910 -0.692
NO2 Nitrogen dioxide 2.219 2.910 -0.691
C3H6 Cyclopropane 4.962 5.640 -0.678
C3H6 Cyclopropane 4.963 5.640 -0.677
CH2F2 Methane, difluoro- 2.087 2.761 -0.674
CH2F2 Methane, difluoro- 2.087 2.761 -0.674
N2O Nitrous oxide 2.329 2.998 -0.669
N2O Nitrous oxide 2.329 2.998 -0.669
HCOOH Formic acid 2.654 3.319 -0.665
CH3SH Methanethiol 4.525 5.186 -0.661
CH3SH Methanethiol 4.526 5.186 -0.661
CH2CHCH2CH3 1-Butene 7.175 7.830 -0.655
C6H6 Benzene 9.321 9.959 -0.638
C6H6 Benzene 9.321 9.959 -0.638
CH3CHCHCH3 2-Butene, (E)- 7.243 7.880 -0.637
C3F6 hexafluoropropene 5.202 5.838 -0.636
BF3 Borane, trifluoro- 1.799 2.420 -0.621
C2H5SC2H5 Diethyl sulfide 9.943 10.549 -0.607
CH3OH Methyl alcohol 2.628 3.210 -0.582
H2CO Formaldehyde 2.188 2.770 -0.582
CH3OH Methyl alcohol 2.628 3.210 -0.582
H2CO Formaldehyde 2.188 2.770 -0.582
C4H4S Thiophene 8.429 9.010 -0.581
C2H2 Acetylene 2.906 3.487 -0.580
C2H2 Acetylene 2.907 3.487 -0.580
C4H2 Diacetylene 6.249 6.811 -0.562
NH3 Ammonia 1.552 2.103 -0.550
NH3 Ammonia 1.553 2.103 -0.550
C3H5Cl 1-Propene, 3-chloro- 6.852 7.400 -0.549
B2H6 Diborane 4.571 5.115 -0.545
B2H6 Diborane 4.573 5.115 -0.542
CH2CHCH3 Propene 5.448 5.990 -0.541
CH2CHCH3 Propene 5.449 5.990 -0.541
CH3NH2 methyl amine 3.219 3.754 -0.535
CH3NH2 methyl amine 3.219 3.754 -0.534
H2O Water 0.984 1.501 -0.517
H2O Water 0.985 1.501 -0.516
CH3NHCH3 Dimethylamine 4.934 5.447 -0.513
CO2 Carbon dioxide 2.009 2.507 -0.499
CO2 Carbon dioxide 2.009 2.507 -0.499
C2H4 Ethylene 3.692 4.188 -0.496
C2H4 Ethylene 3.692 4.188 -0.495
C6F6 hexafluorobenzene 9.111 9.580 -0.469
HCN Hydrogen cyanide 2.131 2.593 -0.462
HCN Hydrogen cyanide 2.131 2.593 -0.462
CH3CN Acetonitrile 3.818 4.280 -0.461
CH3CN Acetonitrile 3.818 4.280 -0.461
PH3 Phosphine 3.796 4.237 -0.441
PH3 Phosphine 3.797 4.237 -0.440
C6H5CN phenyl cyanide 11.551 11.981 -0.429
N(CH3)3 Trimethylamine 6.648 7.076 -0.428
CH3F Methyl fluoride 2.113 2.540 -0.427
CH3F Methyl fluoride 2.113 2.540 -0.427
O2 Oxygen diatomic 1.138 1.562 -0.424
O2 Oxygen diatomic 1.138 1.562 -0.424
CH3CHO Acetaldehyde 3.864 4.278 -0.414
CH3CHO Acetaldehyde 3.864 4.278 -0.414
K Potassium atom 42.996 43.400 -0.404
C2H5F fluoroethane 3.765 4.164 -0.399
C2H6 Ethane 3.828 4.226 -0.399
C3H8 Propane 5.531 5.921 -0.390
C3H8 Propane 5.531 5.921 -0.390
NO Nitric oxide 1.322 1.698 -0.376
N2 Nitrogen diatomic 1.340 1.710 -0.370
C2H6 Ethane 3.861 4.226 -0.365
C2H6 Ethane 3.862 4.226 -0.364
FCN Cyanogen fluoride 2.209 2.550 -0.341
C12H10 biphenyl 19.331 19.640 -0.309
CO Carbon monoxide 1.652 1.953 -0.301
HF Hydrogen fluoride 0.513 0.800 -0.287
HF Hydrogen fluoride 0.513 0.800 -0.287
F2 Fluorine diatomic 0.874 1.160 -0.287
F2 Fluorine diatomic 0.874 1.160 -0.286
O2 Oxygen diatomic 1.277 1.562 -0.285
O2 Oxygen diatomic 1.277 1.562 -0.285
CH4 Methane 2.184 2.448 -0.264
CH4 Methane 2.184 2.448 -0.264
C3H2N2 Malononitrile 5.527 5.790 -0.262
N2 Nitrogen diatomic 1.468 1.710 -0.242
N2 Nitrogen diatomic 1.468 1.710 -0.242
CO Carbon monoxide 1.729 1.953 -0.224
HD Deuterium hydride 0.577 0.791 -0.213
H2 Hydrogen diatomic 0.577 0.787 -0.210
D2 Deuterium diatomic 0.577 0.783 -0.206
CH2CCH2 allene 5.524 5.690 -0.166
CH2CCH2 allene 5.524 5.690 -0.166
C5H8 Spiropentane 7.942 8.049 -0.108
H2+ Hydrogen cation 0.390 0.469 -0.079
B3N3H6 borazine 7.963 8.000 -0.038
GeH4 Germane 4.737 4.770 -0.033
GeH4 Germane 4.739 4.770 -0.031
C5H12 Butane, 2-methyl- 8.811 8.770 0.041
CaO Calcium monoxide 4.336 2.841 1.495
CaO Calcium monoxide 4.338 2.841 1.498
C10H8 Azulene 17.708 15.520 2.188
C10H8 Azulene 18.016 15.520 2.496
MgO magnesium oxide 9.294 1.750 7.544