species |
name |
calculated |
experimental |
difference |
C4H8O2 |
Butanoic acid |
8.615 |
|
|
NaLi |
lithium sodium |
33.459 |
39.999 |
-6.540 |
NaLi |
lithium sodium |
33.538 |
39.999 |
-6.461 |
ClF3 |
Chlorine trifluoride |
4.040 |
7.483 |
-3.444 |
SiH3Cl |
chlorosilane |
6.304 |
9.113 |
-2.809 |
SiH3Cl |
chlorosilane |
6.309 |
9.113 |
-2.805 |
ClF3 |
Chlorine trifluoride |
4.702 |
7.483 |
-2.781 |
CH3CHClCH2CH3 |
Butane, 2-chloro- |
9.771 |
12.499 |
-2.728 |
CH2ClCH2CH3 |
Propane, 1-chloro- |
7.934 |
10.000 |
-2.066 |
CH2ClCH2CH3 |
Propane, 1-chloro- |
8.043 |
10.000 |
-1.957 |
CH2ClCH2CH3 |
Propane, 1-chloro- |
8.045 |
10.000 |
-1.955 |
CH2ClCH2CH2CH3 |
Butane, 1-chloro- |
9.895 |
11.301 |
-1.406 |
BeH2 |
beryllium dihydride |
3.060 |
4.340 |
-1.281 |
C6H5Br |
bromobenzene |
13.454 |
14.700 |
-1.246 |
CH2CHCHCH2 |
1,3-Butadiene |
7.768 |
8.881 |
-1.113 |
CS2 |
Carbon disulfide |
8.098 |
8.749 |
-0.651 |
HCCCl |
Chloroacetylene |
5.472 |
6.070 |
-0.598 |
HCCCl |
Chloroacetylene |
5.473 |
6.070 |
-0.597 |
CSe2 |
Carbon diselenide |
10.681 |
11.269 |
-0.589 |
PF3 |
Phosphorus trifluoride |
3.831 |
4.414 |
-0.583 |
BCl3 |
Borane, trichloro- |
8.180 |
8.700 |
-0.519 |
C2H6O2S |
Dimethyl sulfone |
7.895 |
8.401 |
-0.506 |
C2H3Br |
vinyl bromide |
7.148 |
7.590 |
-0.442 |
CH3CHBrCH3 |
i-propyl bromide |
9.173 |
9.600 |
-0.427 |
PCl3 |
Phosphorus trichloride |
10.216 |
10.634 |
-0.418 |
CH3CH2CH2CN |
Butanenitrile |
7.996 |
8.400 |
-0.404 |
C6H10O |
cyclohexanone |
10.667 |
11.061 |
-0.393 |
PBr3 |
Phosphorus tribromide |
13.989 |
14.380 |
-0.391 |
PBr3 |
Phosphorus tribromide |
13.990 |
14.380 |
-0.390 |
CH3CH2Cl |
Ethyl chloride |
6.202 |
6.590 |
-0.388 |
O3 |
Ozone |
2.697 |
3.079 |
-0.382 |
BrCN |
Cyanogen bromide |
5.448 |
5.824 |
-0.376 |
C2H4S |
Thiirane |
6.544 |
6.910 |
-0.366 |
C2H3Cl |
Ethene, chloro- |
6.049 |
6.410 |
-0.361 |
C5H8O |
Cyclopentanone |
8.908 |
9.250 |
-0.342 |
AsCl3 |
Arsenous trichloride |
11.033 |
11.370 |
-0.337 |
CH3CH(NH2)CH3 |
2-Propanamine |
7.448 |
7.769 |
-0.321 |
CH2Cl2 |
Methylene chloride |
6.348 |
6.659 |
-0.311 |
CH2Cl2 |
Methylene chloride |
6.349 |
6.659 |
-0.310 |
CH2FCH2Cl |
Ethane, 1-chloro-2-fluoro- |
6.208 |
6.499 |
-0.292 |
C3H6 |
Cyclopropane |
5.354 |
5.640 |
-0.286 |
C3H6 |
Cyclopropane |
5.356 |
5.640 |
-0.284 |
CH2FCH2Cl |
Ethane, 1-chloro-2-fluoro- |
6.233 |
6.499 |
-0.266 |
NH2CH2CH2CH3 |
1-Propanamine |
7.434 |
7.700 |
-0.266 |
C5H10O |
3-Pentanone |
9.668 |
9.930 |
-0.261 |
CH3SCH3 |
Dimethyl sulfide |
7.292 |
7.550 |
-0.258 |
CH3COCH2CH3 |
2-Butanone |
7.933 |
8.190 |
-0.257 |
CH3SCH3 |
Dimethyl sulfide |
7.293 |
7.550 |
-0.257 |
CH3CH2CH2CH3 |
Butane |
7.768 |
8.020 |
-0.251 |
C5H11N |
Piperidine |
10.082 |
10.320 |
-0.237 |
C2H4O |
Ethylene oxide |
4.196 |
4.431 |
-0.235 |
C2H4O |
Ethylene oxide |
4.198 |
4.431 |
-0.233 |
CH2CHCHO |
Acrolein |
6.147 |
6.379 |
-0.232 |
C5H11Cl |
Pentane, 1-chloro- |
11.772 |
12.000 |
-0.228 |
C4H10O |
Methyl propyl ether |
8.640 |
8.860 |
-0.220 |
C5H5N |
Pyridine |
9.274 |
9.493 |
-0.219 |
CH3CH2COOH |
Propanoic Acid |
6.745 |
6.960 |
-0.215 |
CH3CH2NH2 |
Ethylamine |
5.660 |
5.870 |
-0.210 |
C6H5CHO |
benzaldehyde |
12.592 |
12.800 |
-0.208 |
C6H5OCH3 |
Anisole |
12.893 |
13.100 |
-0.207 |
C6H5CHO |
benzaldehyde |
12.594 |
12.800 |
-0.206 |
NO2 |
Nitrogen dioxide |
2.707 |
2.910 |
-0.203 |
NO2 |
Nitrogen dioxide |
2.708 |
2.910 |
-0.202 |
CH2CO |
Ketene |
4.203 |
4.400 |
-0.196 |
CH2CO |
Ketene |
4.204 |
4.400 |
-0.196 |
SeF6 |
Selenium hexafluoride |
5.124 |
5.320 |
-0.196 |
CH3Br |
methyl bromide |
5.419 |
5.610 |
-0.191 |
CH3Br |
methyl bromide |
5.419 |
5.610 |
-0.191 |
CHOCH2CH2CH3 |
Butanal |
7.993 |
8.180 |
-0.187 |
AsH3 |
Arsine |
5.287 |
5.468 |
-0.181 |
Cl2CS |
Thiophosgene |
9.395 |
9.573 |
-0.178 |
N2O |
Nitrous oxide |
2.821 |
2.998 |
-0.177 |
N2O |
Nitrous oxide |
2.821 |
2.998 |
-0.177 |
N2O |
Nitrous oxide |
2.821 |
2.998 |
-0.177 |
C2H8N2 |
Ethylenediamine |
7.023 |
7.200 |
-0.177 |
CCl2O |
Phosgene |
6.615 |
6.790 |
-0.175 |
CH3CH(CH3)CH3 |
Isobutane |
7.839 |
8.009 |
-0.170 |
CH3CH2OH |
Ethanol |
4.944 |
5.112 |
-0.168 |
CHBr3 |
bromoform |
11.674 |
11.840 |
-0.166 |
CH3CH2OH |
Ethanol |
4.946 |
5.112 |
-0.166 |
CH3OCH3 |
Dimethyl ether |
4.994 |
5.160 |
-0.166 |
CH3CH2CH2CH3 |
Butane |
7.854 |
8.020 |
-0.165 |
CHCl2CHF2 |
1,1-dichloro-2,2-difluoroethane |
8.236 |
8.401 |
-0.165 |
CH3CH2CHO |
Propanal |
6.185 |
6.350 |
-0.164 |
CH3OCH3 |
Dimethyl ether |
4.996 |
5.160 |
-0.164 |
CH3CCH |
propyne |
5.390 |
5.550 |
-0.160 |
GeCl4 |
Germanium Tetrachloride |
12.332 |
12.490 |
-0.159 |
H2Se |
Hydrogen selenide |
4.612 |
4.770 |
-0.158 |
C2N2 |
Cyanogen |
4.860 |
5.015 |
-0.154 |
SO2 |
Sulfur dioxide |
3.730 |
3.882 |
-0.153 |
SO2 |
Sulfur dioxide |
3.730 |
3.882 |
-0.153 |
SO2 |
Sulfur dioxide |
3.730 |
3.882 |
-0.152 |
H2CO |
Formaldehyde |
2.618 |
2.770 |
-0.151 |
H2CO |
Formaldehyde |
2.619 |
2.770 |
-0.151 |
H2CO |
Formaldehyde |
2.619 |
2.770 |
-0.150 |
CH2F2 |
Methane, difluoro- |
2.612 |
2.761 |
-0.149 |
CH2F2 |
Methane, difluoro- |
2.612 |
2.761 |
-0.148 |
CHFCl2 |
fluorodichloromethane |
6.464 |
6.611 |
-0.147 |
C3H7NO |
dimethylformamide |
7.669 |
7.809 |
-0.140 |
B2H6 |
Diborane |
4.976 |
5.115 |
-0.140 |
CH3COOH |
Acetic acid |
5.011 |
5.149 |
-0.138 |
C4H4O |
Furan |
7.092 |
7.230 |
-0.138 |
C4H4O |
Furan |
7.094 |
7.230 |
-0.136 |
B2H6 |
Diborane |
4.980 |
5.115 |
-0.135 |
Cl2 |
Chlorine diatomic |
4.482 |
4.610 |
-0.128 |
CH3CH(CH3)CN |
Propanenitrile, 2-methyl- |
7.921 |
8.049 |
-0.128 |
Si2H6 |
disilane |
9.283 |
9.410 |
-0.127 |
CH2Br2 |
dibromomethane |
8.554 |
8.680 |
-0.126 |
CH2Br2 |
dibromomethane |
8.555 |
8.680 |
-0.125 |
C4H6O2 |
2,3-Butanedione |
8.076 |
8.201 |
-0.125 |
C6H5F |
Fluorobenzene |
10.077 |
10.200 |
-0.123 |
C2H4 |
Ethylene |
4.072 |
4.188 |
-0.116 |
C2H4 |
Ethylene |
4.073 |
4.188 |
-0.115 |
C6H12 |
hex-1-ene |
11.536 |
11.650 |
-0.115 |
NF3 |
Nitrogen trifluoride |
2.698 |
2.810 |
-0.112 |
CH3CH2SH |
ethanethiol |
7.268 |
7.380 |
-0.111 |
NF3 |
Nitrogen trifluoride |
2.698 |
2.810 |
-0.111 |
SO3 |
Sulfur trioxide |
4.191 |
4.297 |
-0.106 |
OCS |
Carbonyl sulfide |
4.985 |
5.090 |
-0.105 |
OCS |
Carbonyl sulfide |
4.985 |
5.090 |
-0.105 |
HCN |
Hydrogen cyanide |
2.490 |
2.593 |
-0.103 |
HCN |
Hydrogen cyanide |
2.490 |
2.593 |
-0.103 |
HCN |
Hydrogen cyanide |
2.491 |
2.593 |
-0.103 |
C2H5CN |
ethyl cyanide |
6.140 |
6.240 |
-0.100 |
C2H5CN |
ethyl cyanide |
6.140 |
6.240 |
-0.100 |
CH2ClCHCl2 |
1,1,2-trichloroethane |
10.163 |
10.260 |
-0.097 |
As4 |
Arsenic tetramer |
17.198 |
17.293 |
-0.095 |
CH3CCl(CH3)CH3 |
Propane, 2-chloro-2-methyl- |
9.785 |
9.879 |
-0.094 |
H2O |
Water |
1.409 |
1.501 |
-0.092 |
H2O |
Water |
1.409 |
1.501 |
-0.092 |
H2O |
Water |
1.410 |
1.501 |
-0.092 |
CH3SOCH3 |
Dimethyl sulfoxide |
7.879 |
7.969 |
-0.091 |
CH3CH2SH |
ethanethiol |
7.290 |
7.380 |
-0.089 |
CH2C(CH3)CH3 |
1-Propene, 2-methyl- |
7.792 |
7.880 |
-0.089 |
C3H7NO |
dimethylformamide |
7.724 |
7.809 |
-0.085 |
C3H7NO |
dimethylformamide |
7.724 |
7.809 |
-0.085 |
GeF4 |
Germanium tetrafluoride |
3.968 |
4.050 |
-0.082 |
CH3NO2 |
Methane, nitro- |
4.721 |
4.800 |
-0.079 |
C10H22 |
Decane |
19.023 |
19.100 |
-0.077 |
CHF3 |
Methane, trifluoro- |
2.727 |
2.801 |
-0.073 |
BF3 |
Borane, trifluoro- |
2.347 |
2.420 |
-0.073 |
CHF3 |
Methane, trifluoro- |
2.728 |
2.801 |
-0.073 |
HBr |
hydrogen bromide |
3.543 |
3.616 |
-0.073 |
O2 |
Oxygen diatomic |
1.489 |
1.562 |
-0.073 |
CH3Cl |
Methyl chloride |
4.344 |
4.416 |
-0.072 |
CH3OH |
Methyl alcohol |
3.138 |
3.210 |
-0.071 |
CH3OH |
Methyl alcohol |
3.138 |
3.210 |
-0.071 |
CH3Cl |
Methyl chloride |
4.346 |
4.416 |
-0.070 |
C2H2 |
Acetylene |
3.418 |
3.487 |
-0.069 |
C2H2 |
Acetylene |
3.418 |
3.487 |
-0.069 |
N2H4 |
Hydrazine |
3.392 |
3.460 |
-0.068 |
CH3COCH3 |
Acetone |
6.211 |
6.270 |
-0.059 |
CH3COCH3 |
Acetone |
6.212 |
6.270 |
-0.058 |
CH2CHCHO |
Acrolein |
6.328 |
6.379 |
-0.052 |
CH2CHCHO |
Acrolein |
6.329 |
6.379 |
-0.051 |
CH3OCHO |
methyl formate |
5.002 |
5.050 |
-0.048 |
CHOCHCHCH3 |
2-Butenal |
8.452 |
8.500 |
-0.048 |
CHClCHCl |
Ethene, 1,2-dichloro-, (Z)- |
7.983 |
8.030 |
-0.047 |
SiH4 |
Silane |
4.734 |
4.777 |
-0.044 |
SiH4 |
Silane |
4.734 |
4.777 |
-0.044 |
CH2FCl |
fluorochloromethane |
4.468 |
4.509 |
-0.041 |
HCOOH |
Formic acid |
3.280 |
3.319 |
-0.040 |
HCOOH |
Formic acid |
3.280 |
3.319 |
-0.040 |
CH2CHCH3 |
Propene |
5.951 |
5.990 |
-0.038 |
O2 |
Oxygen diatomic |
1.525 |
1.562 |
-0.037 |
O2 |
Oxygen diatomic |
1.525 |
1.562 |
-0.037 |
HCOOC2H5 |
Ethyl formate |
6.844 |
6.880 |
-0.036 |
CH2CHCH3 |
Propene |
5.954 |
5.990 |
-0.036 |
CH2CHCH3 |
Propene |
5.955 |
5.990 |
-0.035 |
C4H10O |
Ethoxy ethane |
8.696 |
8.730 |
-0.034 |
GeF4 |
Germanium tetrafluoride |
4.016 |
4.050 |
-0.034 |
CO |
Carbon monoxide |
1.919 |
1.953 |
-0.034 |
CO |
Carbon monoxide |
1.919 |
1.953 |
-0.034 |
C4H10O |
Ethoxy ethane |
8.697 |
8.730 |
-0.032 |
C4H10O |
1-Butanol |
8.539 |
8.570 |
-0.030 |
C4H10O |
1-Butanol |
8.539 |
8.570 |
-0.030 |
CH3COOCH3 |
methyl acetate |
6.782 |
6.811 |
-0.029 |
H2+ |
Hydrogen cation |
0.444 |
0.469 |
-0.026 |
CF3Cl |
Methane, chlorotrifluoro- |
4.624 |
4.650 |
-0.026 |
CF3Cl |
Methane, chlorotrifluoro- |
4.626 |
4.650 |
-0.024 |
CH3F |
Methyl fluoride |
2.516 |
2.540 |
-0.024 |
CH3F |
Methyl fluoride |
2.516 |
2.540 |
-0.024 |
CH2ClCH2OH |
2-Chloroethanol |
6.858 |
6.880 |
-0.023 |
F2SO |
Thionyl Fluoride |
3.906 |
3.927 |
-0.021 |
NO |
Nitric oxide |
1.680 |
1.698 |
-0.018 |
NO |
Nitric oxide |
1.680 |
1.698 |
-0.018 |
CH2CHCH2CH3 |
1-Butene |
7.813 |
7.830 |
-0.017 |
C6H5OH |
phenol |
10.893 |
10.909 |
-0.016 |
CO2 |
Carbon dioxide |
2.493 |
2.507 |
-0.014 |
CO2 |
Carbon dioxide |
2.493 |
2.507 |
-0.014 |
SF6 |
Sulfur Hexafluoride |
4.480 |
4.490 |
-0.010 |
CH3CF3 |
Ethane, 1,1,1-trifluoro- |
4.393 |
4.400 |
-0.007 |
CH3CCl3 |
Ethane, 1,1,1-trichloro- |
10.113 |
10.120 |
-0.006 |
NH3 |
Ammonia |
2.098 |
2.103 |
-0.005 |
NH3 |
Ammonia |
2.098 |
2.103 |
-0.005 |
CHONH2 |
formamide |
4.075 |
4.080 |
-0.005 |
NH3 |
Ammonia |
2.098 |
2.103 |
-0.004 |
CHONH2 |
formamide |
4.075 |
4.080 |
-0.004 |
H2S |
Hydrogen sulfide |
3.628 |
3.631 |
-0.002 |
H2S |
Hydrogen sulfide |
3.630 |
3.631 |
-0.001 |
C2H6 |
Ethane |
4.226 |
4.226 |
-0.000 |
CF3CHF2 |
pentafluoroethane |
4.627 |
4.623 |
0.004 |
HF |
Hydrogen fluoride |
0.805 |
0.800 |
0.005 |
HF |
Hydrogen fluoride |
0.805 |
0.800 |
0.005 |
C4H5N |
Pyrrole |
7.949 |
7.940 |
0.010 |
C4H8O2 |
Ethyl acetate |
8.630 |
8.620 |
0.010 |
CF3Br |
Bromotrifluoromethane |
5.668 |
5.650 |
0.018 |
CH3CHCl2 |
Ethane, 1,1-dichloro- |
8.179 |
8.161 |
0.018 |
C2H6 |
Ethane |
4.244 |
4.226 |
0.018 |
C2H6 |
Ethane |
4.245 |
4.226 |
0.019 |
C2H6 |
Ethane |
4.245 |
4.226 |
0.019 |
CH2CHCH2CH2CH3 |
1-pentene |
9.671 |
9.650 |
0.021 |
CH2CHCH2CH3 |
1-Butene |
7.853 |
7.830 |
0.023 |
C3H7OH |
1-Propanol |
6.694 |
6.670 |
0.024 |
N2 |
Nitrogen diatomic |
1.735 |
1.710 |
0.025 |
N2 |
Nitrogen diatomic |
1.735 |
1.710 |
0.025 |
N2 |
Nitrogen diatomic |
1.735 |
1.710 |
0.025 |
H2 |
Hydrogen diatomic |
0.812 |
0.787 |
0.025 |
F2 |
Fluorine diatomic |
1.189 |
1.160 |
0.028 |
HCOOH |
Formic acid |
3.350 |
3.319 |
0.030 |
HCl |
Hydrogen chloride |
2.546 |
2.515 |
0.032 |
HCl |
Hydrogen chloride |
2.547 |
2.515 |
0.032 |
HCl |
Hydrogen chloride |
2.547 |
2.515 |
0.033 |
C2H5Br |
Ethyl bromide |
7.318 |
7.280 |
0.038 |
C3H4N2 |
1H-Imidazole |
7.129 |
7.090 |
0.039 |
CH4 |
Methane |
2.487 |
2.448 |
0.039 |
CH4 |
Methane |
2.488 |
2.448 |
0.040 |
C2H5Br |
Ethyl bromide |
7.320 |
7.280 |
0.040 |
C3H7OH |
1-Propanol |
6.719 |
6.670 |
0.050 |
C10H8 |
naphthalene |
17.455 |
17.400 |
0.055 |
CF3Br |
Bromotrifluoromethane |
5.710 |
5.650 |
0.060 |
CF3Br |
Bromotrifluoromethane |
5.710 |
5.650 |
0.060 |
CH3CN |
Acetonitrile |
4.345 |
4.280 |
0.066 |
CH3CHOHCH3 |
Isopropyl alcohol |
6.736 |
6.670 |
0.066 |
CH3CN |
Acetonitrile |
4.346 |
4.280 |
0.066 |
CH3NH2 |
methyl amine |
3.820 |
3.754 |
0.067 |
CH3NH2 |
methyl amine |
3.821 |
3.754 |
0.068 |
CH2ClCH2Cl |
Ethane, 1,2-dichloro- |
8.069 |
8.000 |
0.068 |
C5H9N |
Propanenitrile, 2,2-dimethyl- |
9.671 |
9.591 |
0.080 |
C6H10 |
1-Hexyne |
10.986 |
10.900 |
0.086 |
C3H6O3 |
1,3,5-Trioxane |
7.109 |
7.020 |
0.089 |
C3H6O3 |
1,3,5-Trioxane |
7.111 |
7.020 |
0.091 |
C6H6 |
Benzene |
10.066 |
9.959 |
0.106 |
CH3CONH2 |
Acetamide |
5.786 |
5.670 |
0.116 |
C3H7OC3H7 |
di-n-propyl ether |
12.338 |
12.219 |
0.119 |
C3H8 |
Propane |
6.041 |
5.921 |
0.119 |
C3H8 |
Propane |
6.042 |
5.921 |
0.120 |
C2H5F |
fluoroethane |
4.291 |
4.164 |
0.127 |
FCN |
Cyanogen fluoride |
2.678 |
2.550 |
0.128 |
C4H5N |
(E)-2-Butenenitrile |
8.335 |
8.201 |
0.134 |
CH3CH2CH2Br |
n-propyl bromide |
9.207 |
9.070 |
0.137 |
CF2Cl2 |
difluorodichloromethane |
6.514 |
6.370 |
0.144 |
CF2Cl2 |
difluorodichloromethane |
6.515 |
6.370 |
0.144 |
Br2 |
Bromine diatomic |
6.584 |
6.431 |
0.153 |
CFCl3 |
Trichloromonofluoromethane |
8.410 |
8.249 |
0.160 |
CH2CCl2 |
Ethene, 1,1-dichloro- |
8.020 |
7.830 |
0.190 |
CH3CHO |
Acetaldehyde |
4.478 |
4.278 |
0.200 |
C6H5CH3 |
toluene |
12.062 |
11.861 |
0.201 |
CH3CHO |
Acetaldehyde |
4.480 |
4.278 |
0.202 |
PF5 |
Phosphorus pentafluoride |
3.860 |
3.650 |
0.210 |
CHCl3 |
Chloroform |
8.347 |
8.129 |
0.217 |
CHCl3 |
Chloroform |
8.349 |
8.129 |
0.220 |
CH3NHCH3 |
Dimethylamine |
5.677 |
5.447 |
0.230 |
CH3SH |
Methanethiol |
5.426 |
5.186 |
0.240 |
CH3SH |
Methanethiol |
5.426 |
5.186 |
0.240 |
P |
Phosphorus atom |
3.877 |
3.630 |
0.247 |
BBr3 |
Boron tribromide |
11.616 |
11.351 |
0.265 |
Al2Cl6 |
Aluminum, di-μ-chlorotetrachlorodi- |
18.157 |
17.886 |
0.271 |
C6H5NH2 |
aniline |
11.852 |
11.581 |
0.271 |
CCl4 |
Carbon tetrachloride |
10.285 |
10.002 |
0.283 |
PH3 |
Phosphine |
4.529 |
4.237 |
0.293 |
PH3 |
Phosphine |
4.534 |
4.237 |
0.297 |
CH2CCH2 |
allene |
5.988 |
5.690 |
0.298 |
C4H4S |
Thiophene |
9.339 |
9.010 |
0.329 |
C3H5Cl |
1-Propene, 3-chloro- |
7.756 |
7.400 |
0.356 |
C6H5Cl |
chlorobenzene |
12.264 |
11.861 |
0.404 |
C6H5NO2 |
Nitrobenzene |
12.694 |
12.259 |
0.435 |
C4H2 |
Diacetylene |
7.260 |
6.811 |
0.449 |
GeH4 |
Germane |
5.221 |
4.770 |
0.450 |
GeH4 |
Germane |
5.221 |
4.770 |
0.451 |
C3H2N2 |
Malononitrile |
6.286 |
5.790 |
0.496 |
C3F6 |
hexafluoropropene |
6.344 |
5.838 |
0.506 |
CO |
Carbon monoxide |
2.463 |
1.953 |
0.510 |
N(CH3)3 |
Trimethylamine |
7.594 |
7.076 |
0.518 |
C2H5SC2H5 |
Diethyl sulfide |
11.099 |
10.549 |
0.550 |
Be |
Beryllium atom |
6.169 |
5.600 |
0.569 |
Be |
Beryllium atom |
6.169 |
5.600 |
0.569 |
N2 |
Nitrogen diatomic |
2.414 |
1.710 |
0.704 |
C6H4Cl2 |
1,3-dichlorobenzene |
14.546 |
13.729 |
0.817 |
C5H12 |
Butane, 2-methyl- |
9.593 |
8.770 |
0.824 |
B3N3H6 |
borazine |
9.216 |
8.000 |
1.216 |
C10H8 |
Azulene |
19.101 |
15.520 |
3.581 |