Species |
Name |
Bond type |
Bond Length (Å) |
Experimental |
Calculated |
Difference |
C4H6 |
1-Methylcyclopropene |
rCH |
1.085 |
4.293 |
3.208 |
C4H6 |
1-Methylcyclopropene |
rCH |
1.087 |
3.519 |
2.432 |
Mg2 |
Magnesium diatomic |
rMgMg |
3.891 |
2.714 |
-1.176 |
FOO |
Dioxygen monofluoride radical |
rFO |
1.649 |
2.755 |
1.106 |
C2H4O3 |
trioxolane124 |
rCN |
1.303 |
2.288 |
0.985 |
CH3SO2NH2 |
methanesulfonamide |
rCN |
1.207 |
2.085 |
0.878 |
S4 |
Sulfur tetramer |
rSS |
2.155 |
3.003 |
0.848 |
C4H6 |
1-Methylcyclopropene |
rCC |
1.476 |
2.301 |
0.825 |
HSSSH |
trisulfane |
rHS |
1.344 |
2.139 |
0.796 |
HSSSH |
trisulfane |
rHS |
1.344 |
2.139 |
0.796 |
HSSSH |
trisulfane |
rHS |
1.344 |
2.139 |
0.796 |
HSSSH |
trisulfane |
rHS |
1.344 |
2.139 |
0.796 |
C4H6 |
1-Methylcyclopropene |
rCH |
1.087 |
1.854 |
0.767 |
CH3CH2SH |
ethanethiol |
rCH |
1.095 |
1.857 |
0.762 |
CH3CH2SH |
ethanethiol |
rCH |
1.095 |
1.857 |
0.762 |
CH3CH2SH |
ethanethiol |
rCH |
1.095 |
1.852 |
0.757 |
NaK |
Sodium Potassium |
rNaK |
3.589 |
2.851 |
-0.738 |
C4H6 |
1-Methylcyclopropene |
rCH |
1.098 |
1.806 |
0.708 |
C4H6 |
1-Methylcyclopropene |
rCH |
1.098 |
1.796 |
0.698 |
Na2 |
Sodium diatomic |
rNaNa |
3.079 |
2.406 |
-0.672 |
Na2 |
Sodium diatomic |
rNaNa |
3.079 |
2.406 |
-0.672 |
GaP |
Gallium monophosphide |
rPGa |
2.450 |
1.783 |
-0.667 |
GaP |
Gallium monophosphide |
rPGa |
2.450 |
1.783 |
-0.667 |
GaP |
Gallium monophosphide |
rPGa |
2.450 |
1.783 |
-0.667 |
GaP |
Gallium monophosphide |
rPGa |
2.450 |
1.783 |
-0.667 |
FOO |
Dioxygen monofluoride radical |
rOO |
1.200 |
1.771 |
0.571 |
HClO4 |
perchloric acid |
rOCl |
1.641 |
2.205 |
0.564 |
NH3BF3 |
Amminetrifluoroboron |
rBN |
1.673 |
2.205 |
0.532 |
C2H4F2 |
1,2-difluoroethane |
rCH |
1.093 |
1.623 |
0.530 |
C2H4F2 |
1,2-difluoroethane |
rCH |
1.093 |
1.619 |
0.526 |
GaAs |
Gallium arsenide |
rGaAs |
2.530 |
2.041 |
-0.489 |
GaAs |
Gallium arsenide |
rGaAs |
2.530 |
2.041 |
-0.489 |
CH3CH2SH |
ethanethiol |
rCH |
1.089 |
1.573 |
0.484 |
GaAs |
Gallium arsenide |
rGaAs |
2.530 |
2.047 |
-0.483 |
GaAs |
Gallium arsenide |
rGaAs |
2.530 |
2.048 |
-0.482 |
CH3CH2SH |
ethanethiol |
rCH |
1.092 |
1.573 |
0.481 |
CH3CH2SH |
ethanethiol |
rCH |
1.089 |
1.568 |
0.479 |
CH3CH2SH |
ethanethiol |
rCH |
1.089 |
1.568 |
0.479 |
CH3CH2SH |
ethanethiol |
rCH |
1.092 |
1.568 |
0.476 |
CH3CH2SH |
ethanethiol |
rCH |
1.092 |
1.568 |
0.476 |
C4H6 |
1-Methylcyclopropene |
rCH |
1.070 |
1.543 |
0.473 |
C4H4N2 |
Succinonitrile |
rCH |
1.123 |
1.593 |
0.470 |
GaP |
Gallium monophosphide |
rPGa |
2.250 |
1.783 |
-0.467 |
GaP |
Gallium monophosphide |
rPGa |
2.250 |
1.783 |
-0.467 |
GaP |
Gallium monophosphide |
rPGa |
2.250 |
1.783 |
-0.467 |
GaP |
Gallium monophosphide |
rPGa |
2.250 |
1.783 |
-0.467 |
ClFO3 |
Perchloryl fluoride |
rFCl |
1.598 |
2.059 |
0.461 |
GaP |
Gallium monophosphide |
rPGa |
2.240 |
1.783 |
-0.457 |
GaP |
Gallium monophosphide |
rPGa |
2.240 |
1.783 |
-0.457 |
GaP |
Gallium monophosphide |
rPGa |
2.240 |
1.783 |
-0.457 |
GaP |
Gallium monophosphide |
rPGa |
2.240 |
1.783 |
-0.457 |
AlP |
Aluminum monophosphide |
rAlP |
2.400 |
1.945 |
-0.455 |
AlP |
Aluminum monophosphide |
rAlP |
2.400 |
1.945 |
-0.455 |
AlP |
Aluminum monophosphide |
rAlP |
2.400 |
1.945 |
-0.455 |
S4 |
Sulfur tetramer |
rSS |
2.155 |
2.607 |
0.452 |
S4 |
Sulfur tetramer |
rSS |
2.155 |
2.606 |
0.451 |
C4H4N2 |
Succinonitrile |
rCC |
1.561 |
1.116 |
-0.445 |
GaP |
Gallium monophosphide |
rPGa |
2.450 |
2.007 |
-0.443 |
GaP |
Gallium monophosphide |
rPGa |
2.450 |
2.007 |
-0.443 |
GaP |
Gallium monophosphide |
rPGa |
2.450 |
2.007 |
-0.443 |
GaP |
Gallium monophosphide |
rPGa |
2.450 |
2.007 |
-0.443 |
CH2CHCH2F |
Allyl Fluoride |
rHC |
1.130 |
1.569 |
0.439 |
NaLi |
lithium sodium |
rLiNa |
2.889 |
2.455 |
-0.434 |
NaLi |
lithium sodium |
rLiNa |
2.889 |
2.455 |
-0.434 |
CH2CHCH2F |
Allyl Fluoride |
rHC |
1.130 |
1.564 |
0.434 |
ClFO3 |
Perchloryl fluoride |
rClO |
1.400 |
1.827 |
0.427 |
HClO4 |
perchloric acid |
rOCl |
1.404 |
1.830 |
0.426 |
C4H10O |
Methyl propyl ether |
rCC |
1.530 |
1.109 |
-0.421 |
ClOF3 |
Chlorine trifluoride oxide |
rFCl |
1.603 |
2.016 |
0.413 |
HClO4 |
perchloric acid |
rOCl |
1.414 |
1.823 |
0.409 |
C4H6 |
1-Methylcyclopropene |
rCC |
1.515 |
1.111 |
-0.404 |
C4H4N2 |
Succinonitrile |
rCH |
1.111 |
1.511 |
0.400 |
K2 |
Potassium diatomic |
rKK |
3.905 |
3.507 |
-0.398 |
ClOF3 |
Chlorine trifluoride oxide |
rOCl |
1.405 |
1.800 |
0.395 |
C4H10O |
Methyl propyl ether |
rCH |
1.099 |
1.489 |
0.390 |
C3H3NO |
Isoxazole |
rCH |
1.075 |
1.445 |
0.370 |
XeF2 |
Xenon difluoride |
rFXe |
1.974 |
2.339 |
0.365 |
ClF3 |
Chlorine trifluoride |
rFCl |
1.597 |
1.958 |
0.361 |
ClF3 |
Chlorine trifluoride |
rFCl |
1.597 |
1.958 |
0.361 |
OClO |
Chlorine dioxide |
rClO |
1.470 |
1.828 |
0.358 |
OClO |
Chlorine dioxide |
rClO |
1.470 |
1.828 |
0.358 |
OClO |
Chlorine dioxide |
rClO |
1.470 |
1.827 |
0.358 |
SF5Cl |
sulfur chloropentafluoride |
rSCl |
2.030 |
2.384 |
0.354 |
ClF5 |
chlorinepentafluoride |
rFCl |
1.650 |
2.002 |
0.352 |
GaO |
Gallium monoxide |
rOGa |
1.743 |
1.395 |
-0.348 |
H2SO4 |
Sulfuric acid |
rSO |
1.574 |
1.920 |
0.346 |
ClF3 |
Chlorine trifluoride |
rFCl |
1.597 |
1.936 |
0.339 |
ClF3 |
Chlorine trifluoride |
rFCl |
1.597 |
1.936 |
0.339 |
C2H2+ |
acetylene cation |
rCH |
1.077 |
1.416 |
0.339 |
GaF |
Gallium monofluoride |
rFGa |
1.774 |
1.437 |
-0.337 |
GaF |
Gallium monofluoride |
rFGa |
1.774 |
1.437 |
-0.337 |
Si2H2 |
disilyne |
rSiSi |
2.215 |
1.883 |
-0.332 |
CHF2CHF2 |
1,1,2,2-tetrafluoroethane |
rCF |
1.359 |
1.688 |
0.329 |
CH3CH2SH |
ethanethiol |
rCC |
1.528 |
1.857 |
0.329 |
CH3CH2SH |
ethanethiol |
rCC |
1.528 |
1.857 |
0.329 |
GaP |
Gallium monophosphide |
rPGa |
2.110 |
1.783 |
-0.327 |
GaP |
Gallium monophosphide |
rPGa |
2.110 |
1.783 |
-0.327 |
GaP |
Gallium monophosphide |
rPGa |
2.110 |
1.783 |
-0.327 |
GaP |
Gallium monophosphide |
rPGa |
2.110 |
1.783 |
-0.327 |
CH3CH2SH |
ethanethiol |
rCC |
1.528 |
1.852 |
0.324 |
Be2 |
Beryllium diatomic |
rBeBe |
2.460 |
2.137 |
-0.323 |
CaO |
Calcium monoxide |
rOCa |
1.822 |
2.144 |
0.321 |
CaO |
Calcium monoxide |
rOCa |
1.822 |
2.144 |
0.321 |
AlP |
Aluminum monophosphide |
rAlP |
2.260 |
1.945 |
-0.315 |
AlP |
Aluminum monophosphide |
rAlP |
2.260 |
1.945 |
-0.315 |
AlP |
Aluminum monophosphide |
rAlP |
2.260 |
1.945 |
-0.315 |
N2 |
Nitrogen diatomic |
rNN |
1.098 |
1.413 |
0.315 |
N2 |
Nitrogen diatomic |
rNN |
1.098 |
1.413 |
0.315 |
GaH |
Gallium monohydride |
rGaH |
1.663 |
1.350 |
-0.313 |
C2H6N2O2 |
Dimethylnitroamine |
rNN |
1.382 |
1.686 |
0.304 |
SO2Cl2 |
Sulfuryl chloride |
rSCl |
2.076 |
2.379 |
0.303 |
C2H6O2S |
Dimethyl sulfone |
rCS |
1.777 |
2.074 |
0.297 |
C2H6O2S |
Dimethyl sulfone |
rCS |
1.777 |
2.074 |
0.297 |
S4 |
Sulfur tetramer |
rSS |
1.898 |
2.193 |
0.295 |
SO2F2 |
Sulfuryl fluoride |
rFS |
1.530 |
1.816 |
0.286 |
GaBr |
Gallium monobromide |
rGaBr |
2.352 |
2.068 |
-0.285 |
AlP |
Aluminum monophosphide |
rAlP |
2.220 |
1.945 |
-0.275 |
AlP |
Aluminum monophosphide |
rAlP |
2.220 |
1.945 |
-0.275 |
AlP |
Aluminum monophosphide |
rAlP |
2.220 |
1.945 |
-0.275 |
KrF2 |
Krypton difluoride |
rFKr |
1.875 |
2.145 |
0.270 |
GaCl |
Gallium monochloride |
rClGa |
2.202 |
1.934 |
-0.268 |
SOF4 |
Sulfur tetrafluoride oxide |
rFS |
1.539 |
1.806 |
0.267 |
B2 |
Boron diatomic |
rBB |
1.590 |
1.325 |
-0.265 |
ClF3 |
Chlorine trifluoride |
rFCl |
1.697 |
1.958 |
0.261 |
ClF3 |
Chlorine trifluoride |
rFCl |
1.697 |
1.958 |
0.261 |
CH3CH2SH |
ethanethiol |
rCS |
1.820 |
1.568 |
-0.252 |
CH3CH2SH |
ethanethiol |
rCS |
1.820 |
1.568 |
-0.252 |
ClOF3 |
Chlorine trifluoride oxide |
rFCl |
1.713 |
1.964 |
0.251 |
S3 |
Sulfur trimer |
rSS |
1.917 |
2.166 |
0.249 |
CH3CH2SH |
ethanethiol |
rCS |
1.820 |
1.573 |
-0.247 |
Ar2+ |
Argon diatomic cation |
rArAr |
2.320 |
2.566 |
0.246 |
SO3 |
Sulfur trioxide |
rSO |
1.418 |
1.663 |
0.245 |
SO3 |
Sulfur trioxide |
rSO |
1.418 |
1.663 |
0.245 |
GaP |
Gallium monophosphide |
rPGa |
2.250 |
2.007 |
-0.243 |
GaP |
Gallium monophosphide |
rPGa |
2.250 |
2.007 |
-0.243 |
GaP |
Gallium monophosphide |
rPGa |
2.250 |
2.007 |
-0.243 |
GaP |
Gallium monophosphide |
rPGa |
2.250 |
2.007 |
-0.243 |
NaS |
Sodium sulfide |
rNaS |
2.489 |
2.247 |
-0.241 |
ClOOCl |
Dichlorine dioxide |
rOCl |
1.704 |
1.945 |
0.241 |
Al2Cl6 |
Aluminum, di-μ-chlorotetrachlorodi- |
rAlCl |
2.040 |
2.280 |
0.240 |
CaF |
Calcium monofluoride |
rFCa |
1.967 |
2.206 |
0.239 |
CBrClF2 |
Methane, bromochlorodifluoro- |
rCCl |
1.736 |
1.974 |
0.238 |
Na2Cl2 |
Disodium dichloride |
rNaCl |
2.584 |
2.347 |
-0.237 |
SF4 |
Sulfur tetrafluoride |
rSF |
1.545 |
1.782 |
0.237 |
SF4 |
Sulfur tetrafluoride |
rSF |
1.545 |
1.782 |
0.237 |
N2O4 |
Dinitrogen tetroxide |
rNN |
1.782 |
2.018 |
0.236 |
SOCl2 |
thionyl chloride |
rSCl |
2.076 |
2.312 |
0.236 |
CFCl |
chlorofluoromethylene |
rCCl |
1.714 |
1.949 |
0.235 |
C4H6 |
1-Methylcyclopropene |
rCC |
1.300 |
1.535 |
0.235 |
N2O4 |
Dinitrogen tetroxide |
rNN |
1.782 |
2.017 |
0.235 |
CF3Cl |
Methane, chlorotrifluoro- |
rCCl |
1.752 |
1.987 |
0.235 |
CF3Cl |
Methane, chlorotrifluoro- |
rCCl |
1.752 |
1.987 |
0.235 |
He2+ |
helium diatomic cation |
rHeHe |
1.081 |
1.315 |
0.234 |
He2+ |
helium diatomic cation |
rHeHe |
1.081 |
1.315 |
0.234 |
GaP |
Gallium monophosphide |
rPGa |
2.240 |
2.007 |
-0.233 |
GaP |
Gallium monophosphide |
rPGa |
2.240 |
2.007 |
-0.233 |
GaP |
Gallium monophosphide |
rPGa |
2.240 |
2.007 |
-0.233 |
GaP |
Gallium monophosphide |
rPGa |
2.240 |
2.007 |
-0.233 |
Cl2+ |
chlorine diatomic cation |
rClCl |
1.892 |
2.123 |
0.231 |
Cl2+ |
chlorine diatomic cation |
rClCl |
1.892 |
2.123 |
0.231 |
FSSF |
Difluorodisulfane |
rSS |
1.890 |
2.121 |
0.231 |
SO2F2 |
Sulfuryl fluoride |
rOS |
1.405 |
1.634 |
0.229 |
SOF4 |
Sulfur tetrafluoride oxide |
rSO |
1.409 |
1.636 |
0.227 |
Si2H2 |
disilyne |
rSiH |
1.668 |
1.442 |
-0.226 |
CaC |
Calcium monocarbide |
rCCa |
2.302 |
2.527 |
0.226 |
Cl3PO |
Phosphoryl chloride |
rPCl |
1.989 |
2.211 |
0.222 |
CHF2Cl |
difluorochloromethane |
rCCl |
1.747 |
1.968 |
0.221 |
SO2 |
Sulfur dioxide |
rSO |
1.432 |
1.648 |
0.215 |
SO2 |
Sulfur dioxide |
rSO |
1.432 |
1.647 |
0.215 |
SF6 |
Sulfur Hexafluoride |
rSF |
1.561 |
1.774 |
0.213 |
SF6 |
Sulfur Hexafluoride |
rSF |
1.561 |
1.774 |
0.213 |
H2SO4 |
Sulfuric acid |
rSO |
1.422 |
1.635 |
0.213 |
ClF3 |
Chlorine trifluoride |
rFCl |
1.697 |
1.909 |
0.212 |
ClF3 |
Chlorine trifluoride |
rFCl |
1.697 |
1.909 |
0.212 |
F2SO |
Thionyl Fluoride |
rFS |
1.585 |
1.797 |
0.212 |
ScO |
Scandium monoxide |
rOSc |
1.668 |
1.879 |
0.211 |
ClNO2 |
Nitryl chloride |
rNCl |
1.840 |
2.050 |
0.210 |
C2H6O2S |
Dimethyl sulfone |
rSO |
1.431 |
1.639 |
0.208 |
C2H6O2S |
Dimethyl sulfone |
rSO |
1.431 |
1.639 |
0.208 |
NCl |
nitrogen monochloride |
rNCl |
1.611 |
1.819 |
0.208 |
NCl |
nitrogen monochloride |
rNCl |
1.611 |
1.819 |
0.208 |
ClS2 |
Sulfur chloride |
rSCl |
2.071 |
2.274 |
0.203 |
SeF4 |
Selenium tetrafluoride |
rFSe |
1.682 |
1.884 |
0.202 |
F2SO |
Thionyl Fluoride |
rOS |
1.413 |
1.613 |
0.201 |
N2 |
Nitrogen diatomic |
rNN |
1.213 |
1.413 |
0.200 |
N2 |
Nitrogen diatomic |
rNN |
1.213 |
1.413 |
0.200 |
IO |
Iodine monoxide |
rIO |
1.868 |
2.068 |
0.200 |
NaH |
sodium hydride |
rNaH |
1.887 |
1.687 |
-0.200 |
NaH |
sodium hydride |
rNaH |
1.887 |
1.687 |
-0.200 |
SFCl |
Sulfur chloride fluoride |
rSCl |
1.994 |
2.192 |
0.198 |
SOF4 |
Sulfur tetrafluoride oxide |
rFS |
1.596 |
1.793 |
0.197 |
CH3NO3 |
Methyl nitrate |
rNO |
1.402 |
1.599 |
0.197 |
C2F6 |
hexafluoroethane |
rCC |
1.560 |
1.756 |
0.196 |
CF2Cl2 |
difluorodichloromethane |
rCCl |
1.744 |
1.940 |
0.196 |
CF2Cl2 |
difluorodichloromethane |
rCCl |
1.744 |
1.939 |
0.195 |
SSO |
Disulfur monoxide |
rSO |
1.456 |
1.650 |
0.193 |
SSO |
Disulfur monoxide |
rSO |
1.456 |
1.649 |
0.193 |
NCl |
nitrogen monochloride |
rNCl |
1.611 |
1.803 |
0.192 |
Si2H2 |
disilyne |
rSiSi |
2.215 |
2.024 |
-0.192 |
CHFClBr |
fluorochlorobromomethane |
rCCl |
1.745 |
1.937 |
0.192 |
CHFClBr |
fluorochlorobromomethane |
rCCl |
1.745 |
1.937 |
0.192 |
Si2H2 |
disilyne |
rSiH |
1.668 |
1.477 |
-0.191 |
SF5Cl |
sulfur chloropentafluoride |
rFS |
1.576 |
1.766 |
0.190 |
ClO |
Monochlorine monoxide |
rClO |
1.596 |
1.785 |
0.189 |
ClO |
Monochlorine monoxide |
rClO |
1.596 |
1.785 |
0.189 |
C2H5NO3 |
Nitric acid, ethyl ester |
rNO |
1.407 |
1.595 |
0.188 |
ClO |
Monochlorine monoxide |
rClO |
1.596 |
1.784 |
0.188 |
GeH |
germylidene |
rGeH |
1.588 |
1.401 |
-0.187 |
SO2Cl2 |
Sulfuryl chloride |
rSO |
1.443 |
1.629 |
0.186 |
PCl5 |
Phosphorus pentachloride |
rPCl |
2.020 |
2.206 |
0.186 |
OPCl |
Phosphorus oxychloride |
rPCl |
2.059 |
2.243 |
0.185 |
NaBr |
Sodium Bromide |
rNaBr |
2.502 |
2.319 |
-0.183 |
OH- |
hydroxide anion |
rOH |
0.964 |
1.146 |
0.182 |
OH- |
hydroxide anion |
rOH |
0.964 |
1.146 |
0.182 |
CHF2CHF2 |
1,1,2,2-tetrafluoroethane |
rCC |
1.508 |
1.688 |
0.180 |
CHF2CHF2 |
1,1,2,2-tetrafluoroethane |
rCC |
1.508 |
1.688 |
0.180 |
GeO |
Germanium monoxide |
rOGe |
1.625 |
1.446 |
-0.179 |
GeO |
Germanium monoxide |
rOGe |
1.625 |
1.446 |
-0.178 |
GeH |
germylidene |
rGeH |
1.588 |
1.410 |
-0.178 |
C3F8 |
perfluoropropane |
rCC |
1.546 |
1.723 |
0.177 |
N2F2 |
(Z)-Difluorodiazene |
rNN |
1.214 |
1.391 |
0.177 |
CHF2CHF2 |
1,1,2,2-tetrafluoroethane |
rCC |
1.511 |
1.688 |
0.177 |
CHF2CHF2 |
1,1,2,2-tetrafluoroethane |
rCC |
1.511 |
1.688 |
0.177 |
F3PO |
Phosphoryl fluoride |
rFP |
1.524 |
1.701 |
0.177 |
CH3OCl |
methyl hypochlorite |
rOCl |
1.674 |
1.849 |
0.175 |
FNO3 |
Fluorine nitrate |
rNO |
1.507 |
1.680 |
0.173 |
Si2H2 |
disilyne |
rSiSi |
2.215 |
2.043 |
-0.172 |
PF5 |
Phosphorus pentafluoride |
rPF |
1.534 |
1.706 |
0.172 |
PF5 |
Phosphorus pentafluoride |
rPF |
1.534 |
1.706 |
0.172 |
CCl2 |
dichloromethylene |
rCCl |
1.711 |
1.881 |
0.170 |
CaCl |
calcium monochloride |
rClCa |
2.437 |
2.605 |
0.168 |
GeH2 |
germylene |
rGeH |
1.588 |
1.421 |
-0.168 |
S2N2 |
Disulfur dinitride |
rNS |
1.642 |
1.809 |
0.167 |
NCl3 |
nitrogen trichloride |
rNCl |
1.754 |
1.920 |
0.167 |
NCl3 |
nitrogen trichloride |
rNCl |
1.754 |
1.920 |
0.167 |
CaS |
Calcium sulfide |
rSCa |
2.318 |
2.484 |
0.167 |
HeH+ |
Helium hydride cation |
rHHe |
0.790 |
0.955 |
0.165 |
HeH+ |
Helium hydride cation |
rHHe |
0.790 |
0.955 |
0.165 |
O2+ |
diatomic oxygen cation |
rOO |
1.116 |
1.280 |
0.164 |
O2+ |
diatomic oxygen cation |
rOO |
1.116 |
1.280 |
0.164 |
HNO3 |
Nitric acid |
rNO |
1.406 |
1.569 |
0.163 |
CH3NO |
nitrosomethane |
rCN |
1.482 |
1.644 |
0.162 |
ClSSCl |
Disulfur dichloride |
rSCl |
2.057 |
2.219 |
0.162 |
HNO3 |
Nitric acid |
rNO |
1.406 |
1.568 |
0.162 |
HCCl |
Chloromethylene |
rCCl |
1.696 |
1.858 |
0.162 |
Cl2 |
Chlorine diatomic |
rClCl |
1.988 |
2.149 |
0.161 |
Cl2 |
Chlorine diatomic |
rClCl |
1.988 |
2.149 |
0.161 |
CF3OF |
Trifluoromethylhypofluorite |
rCO |
1.395 |
1.556 |
0.161 |
CF3OF |
Trifluoromethylhypofluorite |
rCO |
1.395 |
1.556 |
0.161 |
CO |
Carbon monoxide |
rCO |
1.128 |
1.288 |
0.159 |
CH2FCl |
fluorochloromethane |
rCCl |
1.762 |
1.921 |
0.159 |
FSN |
Thiazyl fluoride |
rFS |
1.643 |
1.802 |
0.159 |
AlN |
Aluminum nitride |
rNAl |
1.786 |
1.628 |
-0.158 |
PO2 |
Phosphorus dioxide |
rPO |
1.467 |
1.625 |
0.158 |
Al2Cl6 |
Aluminum, di-μ-chlorotetrachlorodi- |
rAlCl |
2.240 |
2.083 |
-0.157 |
NO+ |
nitric oxide cation |
rNO |
1.066 |
1.222 |
0.157 |
NO+ |
nitric oxide cation |
rNO |
1.066 |
1.222 |
0.157 |
NaI |
Sodium Iodide |
rNaI |
2.711 |
2.555 |
-0.157 |
FNO |
Nitrosyl fluoride |
rNO |
1.136 |
1.292 |
0.156 |
BrO+ |
Bromine monoxide cation |
rOBr |
1.635 |
1.790 |
0.155 |
FNO |
Nitrosyl fluoride |
rNO |
1.136 |
1.291 |
0.155 |
C2H2ClF |
1-chloro-1-fluoroethylene |
rCCl |
1.704 |
1.859 |
0.154 |
SeO2 |
Selenium dioxide |
rSeO |
1.607 |
1.761 |
0.154 |
SeO2 |
Selenium dioxide |
rSeO |
1.607 |
1.761 |
0.154 |
BrO |
Bromine monoxide |
rOBr |
1.718 |
1.871 |
0.154 |
F3NO |
Nitrogen trifluoride oxide |
rNO |
1.158 |
1.311 |
0.153 |
SSO |
Disulfur monoxide |
rSS |
1.884 |
2.037 |
0.153 |
SO+ |
sulfur monoxide cation |
rOS |
1.424 |
1.577 |
0.153 |
SO+ |
sulfur monoxide cation |
rOS |
1.424 |
1.577 |
0.153 |
SSO |
Disulfur monoxide |
rSS |
1.884 |
2.037 |
0.152 |
SiP |
Silicon monophosphide |
rSiP |
2.078 |
1.926 |
-0.152 |
ClCOClCO |
Oxalyl chloride |
rCCl |
1.744 |
1.895 |
0.151 |
SOCl2 |
thionyl chloride |
rSO |
1.443 |
1.593 |
0.150 |
FSN |
Thiazyl fluoride |
rNS |
1.448 |
1.598 |
0.150 |
BrO |
Bromine monoxide |
rOBr |
1.718 |
1.868 |
0.150 |
NaF |
sodium fluoride |
rNaF |
1.926 |
1.776 |
-0.150 |
NaF |
sodium fluoride |
rNaF |
1.926 |
1.776 |
-0.150 |
SO |
Sulfur monoxide |
rSO |
1.481 |
1.631 |
0.150 |
SO |
Sulfur monoxide |
rSO |
1.481 |
1.631 |
0.150 |
SO |
Sulfur monoxide |
rSO |
1.481 |
1.631 |
0.150 |
SO |
Sulfur monoxide |
rSO |
1.481 |
1.631 |
0.150 |
GeS |
Germanium monosulfide |
rSGe |
2.012 |
1.863 |
-0.149 |
NaO |
sodium monoxide |
rONa |
2.052 |
1.903 |
-0.148 |
GeF |
Germanium monofluoride |
rFGe |
1.745 |
1.598 |
-0.147 |
Cl2O |
Dichlorine monoxide |
rClO |
1.696 |
1.842 |
0.146 |
NHCl2 |
dichloroamine |
rNCl |
1.760 |
1.906 |
0.146 |
CH3ONO |
Methyl nitrite |
rNO |
1.398 |
1.544 |
0.146 |
LiCl- |
lithium chloride anion |
rLiCl |
2.180 |
2.034 |
-0.146 |
FNO2 |
Nitryl fluoride |
rNO |
1.180 |
1.325 |
0.145 |
GeF |
Germanium monofluoride |
rFGe |
1.745 |
1.600 |
-0.145 |
SO |
Sulfur monoxide |
rSO |
1.481 |
1.626 |
0.145 |
SO |
Sulfur monoxide |
rSO |
1.481 |
1.626 |
0.145 |
SO |
Sulfur monoxide |
rSO |
1.481 |
1.626 |
0.145 |
SO |
Sulfur monoxide |
rSO |
1.481 |
1.626 |
0.145 |
SO |
Sulfur monoxide |
rSO |
1.481 |
1.626 |
0.145 |
SO |
Sulfur monoxide |
rSO |
1.481 |
1.626 |
0.145 |
N2H4 |
Hydrazine |
rNN |
1.446 |
1.590 |
0.144 |
N2H4 |
Hydrazine |
rNN |
1.446 |
1.590 |
0.144 |
C2H2+ |
acetylene cation |
rCC |
1.253 |
1.397 |
0.144 |
SCl |
sulfur monochloride |
rSCl |
1.975 |
2.119 |
0.144 |
Si2H2 |
disilyne |
rSiH |
1.668 |
1.811 |
0.143 |
C5H6 |
Propellane |
rCC |
1.596 |
1.739 |
0.143 |
SCl |
sulfur monochloride |
rSCl |
1.975 |
2.119 |
0.143 |
SCl |
sulfur monochloride |
rSCl |
1.975 |
2.119 |
0.143 |
CFCl3 |
Trichloromonofluoromethane |
rCCl |
1.764 |
1.905 |
0.142 |
ClF |
Chlorine monofluoride |
rFCl |
1.628 |
1.770 |
0.142 |
ClF |
Chlorine monofluoride |
rFCl |
1.628 |
1.770 |
0.142 |
GeSe |
Germanium monoselenide |
rGeSe |
2.135 |
1.993 |
-0.141 |
NO3 |
Nitrogen trioxide |
rNO |
1.238 |
1.379 |
0.141 |
SCl2 |
Sulfur dichloride |
rSCl |
2.013 |
2.153 |
0.140 |
SCl2 |
Sulfur dichloride |
rSCl |
2.013 |
2.153 |
0.140 |
C2H3NO |
Nitrosoethylene |
rCN |
1.439 |
1.579 |
0.140 |
NH2SH |
Thiohydroxylamine |
rNS |
1.705 |
1.845 |
0.140 |
NH2SH |
Thiohydroxylamine |
rNS |
1.705 |
1.845 |
0.140 |
HOCl |
hypochlorous acid |
rClO |
1.697 |
1.837 |
0.140 |
NaCl |
Sodium Chloride |
rNaCl |
2.361 |
2.221 |
-0.140 |
NaCl |
Sodium Chloride |
rNaCl |
2.361 |
2.221 |
-0.140 |
CH3NO2 |
Methane, nitro- |
rCN |
1.489 |
1.628 |
0.139 |
CH3NO2 |
Methane, nitro- |
rCN |
1.489 |
1.628 |
0.139 |
CH3CH(CH3)ONO |
Isopropyl nitrite |
rON |
1.414 |
1.553 |
0.139 |
CF3Br |
Bromotrifluoromethane |
rCBr |
1.923 |
2.061 |
0.138 |
CF3Br |
Bromotrifluoromethane |
rCBr |
1.923 |
2.061 |
0.138 |
HOCl |
hypochlorous acid |
rClO |
1.697 |
1.835 |
0.138 |
NO2 |
Nitrogen dioxide |
rNO |
1.193 |
1.331 |
0.137 |
NO2 |
Nitrogen dioxide |
rNO |
1.193 |
1.331 |
0.137 |
FNO3 |
Fluorine nitrate |
rNO |
1.184 |
1.321 |
0.137 |
NO2 |
Nitrogen dioxide |
rNO |
1.193 |
1.331 |
0.137 |
CaBr |
Calcium monobromide |
rCaBr |
2.594 |
2.730 |
0.137 |
SF4 |
Sulfur tetrafluoride |
rSF |
1.646 |
1.782 |
0.136 |
SF4 |
Sulfur tetrafluoride |
rSF |
1.646 |
1.782 |
0.136 |
NBr |
nitrogen monobromide |
rNBr |
1.765 |
1.901 |
0.136 |
PF3 |
Phosphorus trifluoride |
rFP |
1.561 |
1.697 |
0.136 |
AsF5 |
Arsenic pentafluoride |
rAsF |
1.656 |
1.791 |
0.135 |
CCl2O |
Phosgene |
rCCl |
1.737 |
1.871 |
0.135 |
GaCl3 |
Gallium trichloride |
rClGa |
2.180 |
2.046 |
-0.134 |
GaCl3 |
Gallium trichloride |
rClGa |
2.180 |
2.046 |
-0.134 |
F3PO |
Phosphoryl fluoride |
rPO |
1.436 |
1.570 |
0.134 |
CH2N2 |
diazirine |
rNN |
1.228 |
1.362 |
0.134 |
PCl3 |
Phosphorus trichloride |
rPCl |
2.043 |
2.177 |
0.134 |
SF2 |
sulfur difluoride |
rSF |
1.587 |
1.721 |
0.133 |
GeH3CH3 |
methyl germane |
rGeH |
1.529 |
1.396 |
-0.133 |
C2H2O4 |
Oxalic Acid |
rCO |
1.205 |
1.337 |
0.132 |
Ar2 |
Argon diatomic |
rArAr |
3.758 |
3.889 |
0.131 |
PF5 |
Phosphorus pentafluoride |
rFP |
1.577 |
1.708 |
0.131 |
SO |
Sulfur monoxide |
rOS |
1.500 |
1.631 |
0.131 |
SO |
Sulfur monoxide |
rOS |
1.500 |
1.631 |
0.131 |
SO |
Sulfur monoxide |
rOS |
1.500 |
1.631 |
0.131 |
SO |
Sulfur monoxide |
rOS |
1.500 |
1.631 |
0.131 |
PF5 |
Phosphorus pentafluoride |
rFP |
1.577 |
1.708 |
0.131 |
NH2SH |
Thiohydroxylamine |
rNS |
1.705 |
1.835 |
0.130 |
NH2SH |
Thiohydroxylamine |
rNS |
1.705 |
1.835 |
0.130 |
C2H2O4 |
Oxalic Acid |
rCO |
1.205 |
1.335 |
0.130 |
LiK |
Lithium Potassium |
rLiK |
3.270 |
3.140 |
-0.130 |
C2H4F2 |
1,2-difluoroethane |
rCC |
1.493 |
1.623 |
0.130 |
C2H4F2 |
1,2-difluoroethane |
rCC |
1.493 |
1.623 |
0.130 |
HOI |
Hypoiodous acid |
rOI |
1.994 |
2.124 |
0.130 |
CBrCl3 |
Methane, bromotrichloro- |
rCCl |
1.765 |
1.894 |
0.129 |
BrNO |
Nitrosyl bromide |
rNO |
1.146 |
1.275 |
0.129 |
N2O4 |
Dinitrogen tetroxide |
rNO |
1.190 |
1.319 |
0.129 |
N2O4 |
Dinitrogen tetroxide |
rNO |
1.190 |
1.318 |
0.128 |
HCl+ |
hydrogen chloride cation |
rHCl |
1.315 |
1.443 |
0.128 |
HCl+ |
hydrogen chloride cation |
rHCl |
1.315 |
1.443 |
0.128 |
CF3COOH |
trifluoroacetic acid |
rCC |
1.546 |
1.674 |
0.128 |
C3H2O3 |
vinylene carbonate |
rCO |
1.364 |
1.492 |
0.128 |
ClNO |
Nitrosyl chloride |
rNO |
1.139 |
1.266 |
0.127 |
ClNO |
Nitrosyl chloride |
rNO |
1.139 |
1.266 |
0.127 |
TeO |
Tellurium monoxide |
rOTe |
1.825 |
1.952 |
0.127 |
NH2SH |
Thiohydroxylamine |
rNS |
1.719 |
1.845 |
0.126 |
NH2SH |
Thiohydroxylamine |
rNS |
1.719 |
1.845 |
0.126 |
C2H4F2 |
1,2-difluoroethane |
rCC |
1.493 |
1.619 |
0.126 |
C2H4F2 |
1,2-difluoroethane |
rCC |
1.493 |
1.619 |
0.126 |
SO |
Sulfur monoxide |
rOS |
1.500 |
1.626 |
0.126 |
SO |
Sulfur monoxide |
rOS |
1.500 |
1.626 |
0.126 |
SO |
Sulfur monoxide |
rOS |
1.500 |
1.626 |
0.126 |
SO |
Sulfur monoxide |
rOS |
1.500 |
1.626 |
0.126 |
SO |
Sulfur monoxide |
rOS |
1.500 |
1.626 |
0.126 |
SO |
Sulfur monoxide |
rOS |
1.500 |
1.626 |
0.126 |
PO- |
phosphorus monoxide anion |
rOP |
1.540 |
1.665 |
0.125 |
CH2BrCl |
Methane, bromochloro- |
rCCl |
1.755 |
1.880 |
0.125 |
PCl5 |
Phosphorus pentachloride |
rPCl |
2.124 |
2.249 |
0.125 |
CH3CF3 |
Ethane, 1,1,1-trifluoro- |
rCC |
1.494 |
1.619 |
0.125 |
CH3COCl |
Acetyl Chloride |
rCCl |
1.798 |
1.922 |
0.124 |
N2O3 |
Dinitrogen trioxide |
rNO |
1.142 |
1.266 |
0.124 |
C2Cl2 |
dichloroacetylene |
rCCl |
1.612 |
1.735 |
0.124 |
HN3 |
hydrogen azide |
rNH |
0.975 |
1.099 |
0.124 |
HN3 |
hydrogen azide |
rNH |
0.975 |
1.098 |
0.123 |
HNO3 |
Nitric acid |
rNO |
1.199 |
1.322 |
0.123 |
HNO3 |
Nitric acid |
rNO |
1.199 |
1.322 |
0.123 |
N2O3 |
Dinitrogen trioxide |
rNO |
1.202 |
1.325 |
0.123 |
NH+ |
imidogen cation |
rNH |
1.070 |
1.192 |
0.122 |
HNO3 |
Nitric acid |
rNO |
1.211 |
1.333 |
0.122 |
CH3NO3 |
Methyl nitrate |
rNO |
1.205 |
1.327 |
0.122 |
C2H4F2 |
1,2-difluoroethane |
rCC |
1.501 |
1.623 |
0.122 |
C2H4F2 |
1,2-difluoroethane |
rCC |
1.501 |
1.623 |
0.122 |
HOSH |
hydrogen thioperoxide |
rSO |
1.662 |
1.783 |
0.122 |
KOH |
Potassium hydroxide |
rOH |
0.912 |
1.033 |
0.121 |
HNO3 |
Nitric acid |
rNO |
1.211 |
1.332 |
0.121 |
NH2CONH2 |
Urea |
rCN |
1.378 |
1.499 |
0.121 |
NH2CONH2 |
Urea |
rCN |
1.378 |
1.499 |
0.121 |
NH2CONH2 |
Urea |
rCN |
1.378 |
1.499 |
0.121 |
ClCN |
chlorocyanogen |
rCCl |
1.629 |
1.750 |
0.121 |
C4H6O2 |
2,3-Butanedione |
rCC |
1.507 |
1.627 |
0.120 |
HNO2 |
Nitrous acid |
rNO |
1.169 |
1.289 |
0.120 |
CH3CH(CH3)ONO |
Isopropyl nitrite |
rNO |
1.170 |
1.290 |
0.120 |
C6H5NO2 |
Nitrobenzene |
rNO |
1.223 |
1.343 |
0.120 |
TeO2 |
Tellurium Dioxide |
rOTe |
1.830 |
1.949 |
0.119 |
C4H8O2 |
Ethyl acetate |
rCO |
1.448 |
1.567 |
0.119 |
C4H6O2 |
2,3-Butanedione |
rCC |
1.507 |
1.625 |
0.118 |
HOCO+ |
Hydrocarboxyl cation |
rCO |
1.209 |
1.327 |
0.118 |
C2H4F2 |
1,2-difluoroethane |
rCC |
1.501 |
1.619 |
0.118 |
C2H4F2 |
1,2-difluoroethane |
rCC |
1.501 |
1.619 |
0.118 |
CHONH2 |
formamide |
rCN |
1.350 |
1.468 |
0.118 |
CH3OCHO |
methyl formate |
rCO |
1.334 |
1.452 |
0.118 |
N2O |
Nitrous oxide |
rNN |
1.128 |
1.246 |
0.118 |
N2O |
Nitrous oxide |
rNN |
1.128 |
1.246 |
0.118 |
BrCl |
Bromine monochloride |
rClBr |
2.136 |
2.254 |
0.118 |
N2O |
Nitrous oxide |
rNN |
1.128 |
1.246 |
0.118 |
CHONH2 |
formamide |
rCN |
1.350 |
1.467 |
0.117 |
CH3OCl |
methyl hypochlorite |
rCO |
1.389 |
1.506 |
0.117 |
MgOH |
magnesium hydroxide |
rOH |
0.940 |
1.057 |
0.117 |
MgOH |
magnesium hydroxide |
rOH |
0.940 |
1.057 |
0.117 |
NH2SH |
Thiohydroxylamine |
rNS |
1.719 |
1.835 |
0.116 |
NH2SH |
Thiohydroxylamine |
rNS |
1.719 |
1.835 |
0.116 |
LiS |
Lithium monosulfide |
rLiS |
2.150 |
2.034 |
-0.115 |
LiOH |
lithium hydroxide |
rLiO |
1.582 |
1.466 |
-0.115 |
LiOH |
lithium hydroxide |
rLiO |
1.582 |
1.466 |
-0.115 |
S3 |
Sulfur trimer |
rSS |
1.917 |
2.032 |
0.115 |
CH3NO3 |
Methyl nitrate |
rNO |
1.208 |
1.323 |
0.115 |
PF+ |
phosphorus monofluoride cation |
rFP |
1.500 |
1.615 |
0.115 |
CH3NO2 |
Methane, nitro- |
rNO |
1.224 |
1.338 |
0.114 |
S2+ |
sulfur diatomic cation |
rSS |
1.825 |
1.939 |
0.114 |
CH3NO2 |
Methane, nitro- |
rNO |
1.224 |
1.338 |
0.114 |
NS+ |
nitrogen sulfide cation |
rNS |
1.440 |
1.554 |
0.114 |
SiF3 |
Silicon trifluoride radical |
rFSi |
1.565 |
1.679 |
0.114 |
GeH3F |
monofluorogermane |
rGeH |
1.515 |
1.400 |
-0.114 |
CaOH |
Calcium monohydroxide |
rOCa |
1.976 |
2.090 |
0.114 |
CH3CCl3 |
Ethane, 1,1,1-trichloro- |
rCCl |
1.767 |
1.880 |
0.113 |
SeO |
Selenium monoxide |
rSeO |
1.639 |
1.753 |
0.113 |
SeF4 |
Selenium tetrafluoride |
rFSe |
1.771 |
1.884 |
0.113 |
BClF2 |
Chlorodifluoroborane |
rBCl |
1.728 |
1.841 |
0.113 |
C2H5NO3 |
Nitric acid, ethyl ester |
rNO |
1.215 |
1.328 |
0.113 |
KH |
Potassium hydride |
rKH |
2.243 |
2.130 |
-0.112 |
N2O3 |
Dinitrogen trioxide |
rNN |
1.864 |
1.976 |
0.112 |
CHOOCHO |
diformyl ether |
rCO |
1.364 |
1.476 |
0.112 |
C4H8O2 |
Ethyl acetate |
rCO |
1.345 |
1.457 |
0.112 |
O2 |
Oxygen diatomic |
rOO |
1.208 |
1.319 |
0.112 |
HOCH2COOH |
Hydroxyacetic acid |
rOH |
0.956 |
1.068 |
0.112 |
LiBr |
Lithium Bromide |
rLiBr |
2.170 |
2.059 |
-0.111 |
NF3 |
Nitrogen trifluoride |
rNF |
1.365 |
1.476 |
0.111 |
LiBr |
Lithium Bromide |
rLiBr |
2.170 |
2.059 |
-0.111 |
SiC |
silicon monocarbide |
rCSi |
1.722 |
1.611 |
-0.111 |
SiC |
silicon monocarbide |
rCSi |
1.722 |
1.611 |
-0.111 |
CF2CCl2 |
difluorodichloroethylene |
rCCl |
1.706 |
1.817 |
0.111 |
NF3 |
Nitrogen trifluoride |
rNF |
1.365 |
1.476 |
0.111 |
NS |
Mononitrogen monosulfide |
rNS |
1.497 |
1.608 |
0.111 |
CH2CCl2 |
Ethene, 1,1-dichloro- |
rCCl |
1.710 |
1.821 |
0.111 |
NO |
Nitric oxide |
rNO |
1.154 |
1.265 |
0.111 |
NO |
Nitric oxide |
rNO |
1.154 |
1.265 |
0.111 |
NO |
Nitric oxide |
rNO |
1.154 |
1.264 |
0.111 |
N2O |
Nitrous oxide |
rNO |
1.184 |
1.295 |
0.110 |
N2O |
Nitrous oxide |
rNO |
1.184 |
1.295 |
0.110 |
GeF+ |
Germanium monofluoride cation |
rFGe |
1.665 |
1.555 |
-0.110 |
N2O |
Nitrous oxide |
rNO |
1.184 |
1.295 |
0.110 |
ClNO2 |
Nitryl chloride |
rNO |
1.202 |
1.312 |
0.110 |
CH2Cl |
chloromethyl radical |
rCCl |
1.691 |
1.801 |
0.110 |
CH2Cl |
chloromethyl radical |
rCCl |
1.691 |
1.801 |
0.110 |
CH2Cl |
chloromethyl radical |
rCCl |
1.691 |
1.801 |
0.110 |
CH2Cl |
chloromethyl radical |
rCCl |
1.691 |
1.801 |
0.110 |
CO+ |
carbon monoxide cation |
rCO |
1.115 |
1.225 |
0.110 |
CO+ |
carbon monoxide cation |
rCO |
1.115 |
1.225 |
0.110 |
CO+ |
carbon monoxide cation |
rCO |
1.115 |
1.225 |
0.110 |
N3 |
azide radical |
rNN |
1.181 |
1.291 |
0.110 |
N3 |
azide radical |
rNN |
1.181 |
1.291 |
0.110 |
CH3CHClCH2CH3 |
Butane, 2-chloro- |
rCCl |
1.781 |
1.891 |
0.110 |
H2O2 |
Hydrogen peroxide |
rOH |
0.950 |
1.060 |
0.110 |
H2O2 |
Hydrogen peroxide |
rOH |
0.950 |
1.060 |
0.110 |
CH2ClCCCl |
1,3-dichloropropyne |
rCCl |
1.779 |
1.888 |
0.109 |
H2COO |
Dioxymethyl radical |
rCO |
1.272 |
1.381 |
0.109 |
H2O2 |
Hydrogen peroxide |
rOH |
0.950 |
1.059 |
0.109 |
SeCl2 |
Selenium Dichloride |
rClSe |
2.157 |
2.266 |
0.109 |
CH3ONO |
Methyl nitrite |
rNO |
1.182 |
1.291 |
0.109 |
C2H5NO3 |
Nitric acid, ethyl ester |
rNO |
1.215 |
1.324 |
0.109 |
PCl |
phosphorus chloride |
rPCl |
2.018 |
2.126 |
0.109 |
PF2 |
Phosphorus difluoride |
rPF |
1.579 |
1.688 |
0.108 |
HCOOH |
Formic acid |
rCO |
1.343 |
1.451 |
0.108 |
CH3CHF2 |
Ethane, 1,1-difluoro- |
rCC |
1.498 |
1.606 |
0.108 |
SeO |
Selenium monoxide |
rSeO |
1.639 |
1.748 |
0.108 |
SeO |
Selenium monoxide |
rSeO |
1.639 |
1.748 |
0.108 |
CH3CHF2 |
Ethane, 1,1-difluoro- |
rCC |
1.498 |
1.606 |
0.108 |
CCl4 |
Carbon tetrachloride |
rCCl |
1.767 |
1.875 |
0.108 |
CCl4 |
Carbon tetrachloride |
rCCl |
1.767 |
1.875 |
0.108 |
HN3 |
hydrogen azide |
rNN |
1.133 |
1.241 |
0.108 |
HN3 |
hydrogen azide |
rNN |
1.133 |
1.241 |
0.108 |
ScH |
Scandium monohydride |
rScH |
1.775 |
1.883 |
0.108 |
CH3CHCl2 |
Ethane, 1,1-dichloro- |
rCCl |
1.766 |
1.874 |
0.108 |
C6H5NO2 |
Nitrobenzene |
rCN |
1.486 |
1.593 |
0.107 |
C2 |
Carbon diatomic |
rCC |
1.243 |
1.350 |
0.107 |
C2 |
Carbon diatomic |
rCC |
1.243 |
1.350 |
0.107 |
O3 |
Ozone |
rOO |
1.278 |
1.385 |
0.107 |
O3 |
Ozone |
rOO |
1.278 |
1.385 |
0.107 |
C3H8O2 |
Methane, dimethoxy- |
rCO |
1.382 |
1.489 |
0.107 |
OH+ |
hydoxyl cation |
rOH |
1.029 |
1.135 |
0.106 |
OH+ |
hydoxyl cation |
rOH |
1.029 |
1.135 |
0.106 |
O2 |
Oxygen diatomic |
rOO |
1.208 |
1.314 |
0.106 |
O2 |
Oxygen diatomic |
rOO |
1.208 |
1.314 |
0.106 |
O2 |
Oxygen diatomic |
rOO |
1.208 |
1.314 |
0.106 |
HO2 |
Hydroperoxy radical |
rOH |
0.971 |
1.077 |
0.106 |
CF4 |
Carbon tetrafluoride |
rCF |
1.315 |
1.421 |
0.106 |
C2H6N2O2 |
Dimethylnitroamine |
rNO |
1.223 |
1.329 |
0.106 |
HOF |
Hypofluorous acid |
rOH |
0.960 |
1.065 |
0.105 |
NHF2 |
difluoramine |
rHN |
1.026 |
1.131 |
0.105 |
H2O2 |
Hydrogen peroxide |
rOH |
0.950 |
1.055 |
0.105 |
OH+ |
hydoxyl cation |
rOH |
1.029 |
1.134 |
0.105 |
HOF |
Hypofluorous acid |
rOH |
0.960 |
1.065 |
0.105 |
LiF |
lithium fluoride |
rLiF |
1.564 |
1.460 |
-0.104 |
LiF |
lithium fluoride |
rLiF |
1.564 |
1.460 |
-0.104 |
C6H5Cl |
chlorobenzene |
rCCl |
1.725 |
1.829 |
0.104 |
HNO2 |
Nitrous acid |
rNO |
1.442 |
1.546 |
0.104 |
ClSSCl |
Disulfur dichloride |
rSS |
1.931 |
2.035 |
0.104 |
C3H4N2 |
1H-Pyrazole |
rNN |
1.351 |
1.454 |
0.103 |
GaP |
Gallium monophosphide |
rPGa |
2.110 |
2.007 |
-0.103 |
GaP |
Gallium monophosphide |
rPGa |
2.110 |
2.007 |
-0.103 |
GaP |
Gallium monophosphide |
rPGa |
2.110 |
2.007 |
-0.103 |
GaP |
Gallium monophosphide |
rPGa |
2.110 |
2.007 |
-0.103 |
Be2 |
Beryllium diatomic |
rBeBe |
2.460 |
2.357 |
-0.103 |
GaF3 |
Gallium trifluoride |
rFGa |
1.725 |
1.622 |
-0.103 |
CH3CCl(CH3)CH3 |
Propane, 2-chloro-2-methyl- |
rCCl |
1.803 |
1.906 |
0.103 |
N2O3 |
Dinitrogen trioxide |
rNO |
1.217 |
1.320 |
0.103 |
LiI |
Lithium Iodide |
rLiI |
2.392 |
2.289 |
-0.103 |
CH2FI |
fluoroiodomethane |
rCI |
2.140 |
2.242 |
0.102 |
C4H8O2 |
1,3-Dioxane |
rCO |
1.393 |
1.495 |
0.102 |
GaF3 |
Gallium trifluoride |
rFGa |
1.725 |
1.623 |
-0.102 |
Cl3PO |
Phosphoryl chloride |
rPO |
1.455 |
1.557 |
0.102 |
C3H5Cl3 |
Propane, 1,2,3-trichloro- |
rCCl |
1.790 |
1.892 |
0.102 |
C4H2O3 |
Maleic Anhydride |
rCO |
1.386 |
1.488 |
0.102 |
CaH |
Calcium monohydride |
rCaH |
2.003 |
2.104 |
0.102 |
CaH |
Calcium monohydride |
rCaH |
2.003 |
2.104 |
0.102 |
CH2NN |
diazomethane |
rNN |
1.139 |
1.241 |
0.102 |
N2 |
Nitrogen diatomic |
rNN |
1.098 |
1.200 |
0.102 |
N2 |
Nitrogen diatomic |
rNN |
1.098 |
1.200 |
0.102 |
C2H2N2O |
Furazan |
rNO |
1.373 |
1.475 |
0.102 |
N2 |
Nitrogen diatomic |
rNN |
1.098 |
1.199 |
0.102 |
N2 |
Nitrogen diatomic |
rNN |
1.098 |
1.199 |
0.102 |
N2 |
Nitrogen diatomic |
rNN |
1.098 |
1.199 |
0.102 |
N2 |
Nitrogen diatomic |
rNN |
1.098 |
1.199 |
0.102 |
N2 |
Nitrogen diatomic |
rNN |
1.098 |
1.199 |
0.102 |
N2 |
Nitrogen diatomic |
rNN |
1.098 |
1.199 |
0.102 |
CHCl3 |
Chloroform |
rCCl |
1.762 |
1.864 |
0.102 |
CHCl3 |
Chloroform |
rCCl |
1.762 |
1.863 |
0.101 |
C3H8O2 |
1,3-Propanediol |
rCO |
1.410 |
1.511 |
0.101 |
C3F6 |
hexafluoropropene |
rCC |
1.513 |
1.614 |
0.101 |
BrF |
Bromine monofluoride |
rFBr |
1.759 |
1.860 |
0.101 |
N2H2 |
(E)-diazene |
rNN |
1.252 |
1.353 |
0.101 |
N2H2 |
(E)-diazene |
rNN |
1.252 |
1.353 |
0.101 |
CH2O2 |
Dioxirane |
rCO |
1.388 |
1.489 |
0.101 |
AlP |
Aluminum monophosphide |
rAlP |
2.220 |
2.321 |
0.101 |
AlP |
Aluminum monophosphide |
rAlP |
2.220 |
2.321 |
0.101 |
AlP |
Aluminum monophosphide |
rAlP |
2.220 |
2.321 |
0.101 |
AlP |
Aluminum monophosphide |
rAlP |
2.220 |
2.321 |
0.101 |
AlP |
Aluminum monophosphide |
rAlP |
2.220 |
2.321 |
0.101 |
AlP |
Aluminum monophosphide |
rAlP |
2.220 |
2.321 |
0.101 |
NO- |
nitric oxide anion |
rNO |
1.258 |
1.359 |
0.101 |
HCCCl |
Chloroacetylene |
rCCl |
1.637 |
1.738 |
0.101 |
ArH+ |
Argon hydride cation |
rArH |
1.292 |
1.392 |
0.100 |
ArH+ |
Argon hydride cation |
rArH |
1.292 |
1.392 |
0.100 |
HCOOH |
Formic acid |
rCO |
1.343 |
1.443 |
0.100 |
HCOOH |
Formic acid |
rCO |
1.343 |
1.443 |
0.100 |
CH3CONH2 |
Acetamide |
rCN |
1.380 |
1.480 |
0.100 |
HCOOH |
Formic acid |
rCO |
1.343 |
1.443 |
0.100 |
CHClCCl2 |
Trichloroethylene |
rCCl |
1.720 |
1.820 |
0.100 |
Ne2 |
Neon diatomic |
rNeNe |
3.100 |
3.000 |
-0.100 |
PO |
Phosphorus monoxide |
rPO |
1.476 |
1.576 |
0.100 |
PO |
Phosphorus monoxide |
rPO |
1.476 |
1.576 |
0.100 |
CH2Cl |
chloromethyl radical |
rCCl |
1.691 |
1.791 |
0.100 |
CH2Cl |
chloromethyl radical |
rCCl |
1.691 |
1.791 |
0.100 |
ScF |
Scandium monofluoride |
rFSc |
1.788 |
1.887 |
0.100 |
CF3CN |
Acetonitrile, trifluoro- |
rCC |
1.492 |
1.592 |
0.100 |
CBr |
Carbon monobromide |
rCBr |
1.821 |
1.920 |
0.099 |
H2O3 |
Hydrogen trioxide |
rOH |
0.963 |
1.062 |
0.099 |
As2 |
Arsenic diatomic |
rAsAs |
2.103 |
2.004 |
-0.099 |
HNO |
Nitrosyl hydride |
rNO |
1.209 |
1.308 |
0.099 |
HNO |
Nitrosyl hydride |
rNO |
1.209 |
1.308 |
0.099 |
SiCl4 |
Silane, tetrachloro- |
rSiCl |
2.019 |
2.118 |
0.099 |
HCNO |
fulminic acid |
rNO |
1.199 |
1.297 |
0.098 |
HCNO |
fulminic acid |
rNO |
1.199 |
1.297 |
0.098 |
OH |
Hydroxyl radical |
rOH |
0.970 |
1.068 |
0.098 |
OH |
Hydroxyl radical |
rOH |
0.970 |
1.068 |
0.098 |
DO |
Hydroxyl-d |
rDO |
0.970 |
1.068 |
0.098 |
CH2ClI |
chloroiodomethane |
rCCl |
1.774 |
1.872 |
0.098 |
NHCl2 |
dichloroamine |
rHN |
1.014 |
1.112 |
0.098 |
C5H8O |
Cyclopentanone |
rCC |
1.504 |
1.601 |
0.097 |
CH2ClCCCl |
1,3-dichloropropyne |
rCCl |
1.638 |
1.735 |
0.097 |
CHClCCl2 |
Trichloroethylene |
rCCl |
1.712 |
1.809 |
0.097 |
C3H7N |
Cyclopropylamine |
rCN |
1.428 |
1.525 |
0.097 |
NH |
Imidogen |
rNH |
1.034 |
1.131 |
0.097 |
NH |
Imidogen |
rNH |
1.034 |
1.131 |
0.097 |
NH |
Imidogen |
rNH |
1.034 |
1.131 |
0.097 |
CH3CSNH2 |
Ethanethioamide |
rCN |
1.356 |
1.453 |
0.097 |
FSSF |
Difluorodisulfane |
rFS |
1.635 |
1.732 |
0.097 |
NO- |
nitric oxide anion |
rNO |
1.258 |
1.355 |
0.097 |
NO- |
nitric oxide anion |
rNO |
1.258 |
1.355 |
0.097 |
CHClCHCl |
Ethene, 1,2-dichloro-, (E)- |
rCCl |
1.718 |
1.814 |
0.096 |
SiCl3CH3 |
methyltrichlorosilane |
rSiCl |
2.026 |
2.122 |
0.096 |
C2F6 |
hexafluoroethane |
rCF |
1.320 |
1.416 |
0.096 |
HOBr |
Hypobromous acid |
rBrO |
1.834 |
1.930 |
0.096 |
HOBr |
Hypobromous acid |
rBrO |
1.834 |
1.930 |
0.096 |
CaBr2 |
Calcium dibromide |
rCaBr |
2.616 |
2.712 |
0.096 |
CH2C(CH3)OCH3 |
1-Propene, 2-methoxy- |
rCO |
1.353 |
1.449 |
0.096 |
C2H6O2 |
1,2-Ethanediol |
rOH |
0.950 |
1.046 |
0.096 |
CH2CClCHCH2 |
1,3-Butadiene, 2-chloro- |
rCCl |
1.742 |
1.838 |
0.096 |
HF |
Hydrogen fluoride |
rHF |
0.917 |
1.012 |
0.095 |
HF |
Hydrogen fluoride |
rHF |
0.917 |
1.012 |
0.095 |
DF |
Hydrofluoric acid-d |
rDF |
0.917 |
1.013 |
0.095 |
SiHCl3 |
Trichlorosilane |
rSiCl |
2.020 |
2.115 |
0.095 |
C6H4Cl2 |
1,4-dichlorobenzene |
rCCl |
1.729 |
1.824 |
0.095 |
C2H3NO |
Nitrosoethylene |
rNO |
1.220 |
1.315 |
0.095 |
NH |
Imidogen |
rNH |
1.036 |
1.131 |
0.095 |
NH |
Imidogen |
rNH |
1.036 |
1.131 |
0.095 |
NH |
Imidogen |
rNH |
1.036 |
1.131 |
0.095 |
C3O2 |
Carbon suboxide |
rCO |
1.146 |
1.241 |
0.095 |
C3O2 |
Carbon suboxide |
rCO |
1.146 |
1.240 |
0.094 |
F3NO |
Nitrogen trifluoride oxide |
rNF |
1.431 |
1.525 |
0.094 |
CF2 |
Difluoromethylene |
rCF |
1.297 |
1.392 |
0.094 |
CF2 |
Difluoromethylene |
rCF |
1.297 |
1.392 |
0.094 |
HNO2 |
Nitrous acid |
rOH |
0.959 |
1.053 |
0.094 |
HCNO |
fulminic acid |
rNO |
1.199 |
1.293 |
0.094 |
CF3COOH |
trifluoroacetic acid |
rCO |
1.353 |
1.447 |
0.094 |
HCNO |
fulminic acid |
rNO |
1.199 |
1.293 |
0.094 |
HOBr |
Hypobromous acid |
rOH |
0.961 |
1.055 |
0.094 |
HOBr |
Hypobromous acid |
rOH |
0.961 |
1.055 |
0.094 |
CH2ClCH2CH2CH3 |
Butane, 1-chloro- |
rCCl |
1.780 |
1.874 |
0.094 |
OPCl |
Phosphorus oxychloride |
rPO |
1.462 |
1.556 |
0.094 |
HCCl |
Chloromethylene |
rCCl |
1.696 |
1.790 |
0.094 |
HNO3 |
Nitric acid |
rOH |
0.964 |
1.058 |
0.094 |
HNO3 |
Nitric acid |
rOH |
0.964 |
1.058 |
0.094 |
C2Cl4 |
Tetrachloroethylene |
rCCl |
1.718 |
1.812 |
0.094 |
CH2NOH |
formaldoxime |
rOH |
0.956 |
1.050 |
0.094 |
SiF4 |
Silicon tetrafluoride |
rSiF |
1.554 |
1.648 |
0.094 |
CH3CHNOH |
Acetaldoxime |
rOH |
0.956 |
1.050 |
0.094 |
MgH+ |
magnesium monohydride cation |
rMgH |
1.652 |
1.559 |
-0.093 |
S2 |
Sulfur diatomic |
rSS |
1.889 |
1.982 |
0.093 |
C2H3Cl |
Ethene, chloro- |
rCCl |
1.726 |
1.819 |
0.093 |
HO2 |
Hydroperoxy radical |
rOH |
0.971 |
1.064 |
0.093 |
CH3CHNOH |
Acetaldoxime |
rOH |
0.956 |
1.049 |
0.093 |
CHF3 |
Methane, trifluoro- |
rCF |
1.328 |
1.421 |
0.093 |
CH2FCH2CH3 |
1-Fluoropropane |
rCC |
1.501 |
1.594 |
0.093 |
HOSH |
hydrogen thioperoxide |
rOH |
0.961 |
1.053 |
0.093 |
CHF3 |
Methane, trifluoro- |
rCF |
1.328 |
1.421 |
0.093 |
CH2FCH2CH3 |
1-Fluoropropane |
rCC |
1.501 |
1.594 |
0.093 |
CI4 |
tetraiodomethane |
rCI |
2.157 |
2.250 |
0.093 |
C3H5Cl |
1-chloro-1-propene(E) |
rCCl |
1.728 |
1.820 |
0.092 |
HOCH2COOH |
Hydroxyacetic acid |
rCC |
1.495 |
1.587 |
0.092 |
CH3SSH |
Hydrogen methyl disulfide |
rSS |
2.038 |
2.130 |
0.092 |
CaOH |
Calcium monohydroxide |
rOH |
0.930 |
1.022 |
0.092 |
CH3NO |
nitrosomethane |
rNO |
1.211 |
1.303 |
0.092 |
C2H5N |
Aziridine |
rCN |
1.475 |
1.567 |
0.092 |
CH3CHClCH3 |
Propane, 2-chloro- |
rCCl |
1.798 |
1.890 |
0.092 |
CH2CHCHClCH3 |
1-Butene, 3-chloro- |
rCCl |
1.813 |
1.904 |
0.091 |
CF3COOH |
trifluoroacetic acid |
rCF |
1.325 |
1.416 |
0.091 |
CF2 |
Difluoromethylene |
rCF |
1.297 |
1.389 |
0.091 |
CH3CCl2CH3 |
Propane, 2,2-dichloro- |
rCCl |
1.799 |
1.890 |
0.091 |
B2 |
Boron diatomic |
rBB |
1.590 |
1.499 |
-0.091 |
H2Cl+ |
dihydrogen monochloride cation |
rHCl |
1.321 |
1.412 |
0.091 |
H2Cl+ |
dihydrogen monochloride cation |
rHCl |
1.321 |
1.412 |
0.091 |
CH3CCl2CH3 |
Propane, 2,2-dichloro- |
rCCl |
1.799 |
1.890 |
0.091 |
CH3CHClCH3 |
Propane, 2-chloro- |
rCCl |
1.798 |
1.889 |
0.091 |
CF3OF |
Trifluoromethylhypofluorite |
rCF |
1.319 |
1.410 |
0.091 |
CF3OF |
Trifluoromethylhypofluorite |
rCF |
1.319 |
1.410 |
0.091 |
B2 |
Boron diatomic |
rBB |
1.590 |
1.499 |
-0.091 |
CHClCCl2 |
Trichloroethylene |
rCCl |
1.714 |
1.805 |
0.091 |
H2NCH2COOH |
Glycine |
rCO |
1.357 |
1.448 |
0.091 |
CF3 |
Trifluoromethyl radical |
rCF |
1.318 |
1.409 |
0.091 |
CF3 |
Trifluoromethyl radical |
rCF |
1.318 |
1.409 |
0.091 |
CH2BrF |
Methane, bromofluoro- |
rCBr |
1.915 |
2.006 |
0.091 |
CF2O |
Carbonic difluoride |
rCF |
1.312 |
1.402 |
0.090 |
CF2O |
Carbonic difluoride |
rCF |
1.312 |
1.402 |
0.090 |
CH3SSCH3 |
Disulfide, dimethyl |
rSS |
2.038 |
2.128 |
0.090 |
CH2ClCHO |
chloroacetaldehyde |
rCCl |
1.782 |
1.872 |
0.090 |
C5H8O |
2H-Pyran, 3,4-dihydro- |
rCO |
1.420 |
1.510 |
0.090 |
CH2Cl2 |
Methylene chloride |
rCCl |
1.767 |
1.857 |
0.090 |
CH3COOH |
Acetic acid |
rCO |
1.361 |
1.451 |
0.090 |
SF |
Monosulfur monofluoride |
rSF |
1.599 |
1.689 |
0.090 |
SF |
Monosulfur monofluoride |
rSF |
1.599 |
1.689 |
0.090 |
SFCl |
Sulfur chloride fluoride |
rFS |
1.606 |
1.696 |
0.090 |
CH3OH |
Methyl alcohol |
rOH |
0.956 |
1.046 |
0.090 |
CH3OH |
Methyl alcohol |
rOH |
0.956 |
1.046 |
0.090 |
CH3OH |
Methyl alcohol |
rOH |
0.956 |
1.046 |
0.090 |
CH2Cl2 |
Methylene chloride |
rCCl |
1.767 |
1.857 |
0.090 |
CHClCHCl |
Ethene, 1,2-dichloro-, (Z)- |
rCCl |
1.717 |
1.807 |
0.089 |
C4H5NO |
3-Methylisoxazole |
rCN |
1.310 |
1.399 |
0.089 |
CH3OC2H5 |
Ethane, methoxy- |
rCO |
1.407 |
1.496 |
0.089 |
CF2O |
Carbonic difluoride |
rCO |
1.174 |
1.263 |
0.089 |
C6H4Cl2 |
1,3-dichlorobenzene |
rCCl |
1.736 |
1.825 |
0.089 |
C2H2N2O |
Furazan |
rCN |
1.303 |
1.392 |
0.089 |
C4N2 |
2-Butynedinitrile |
rCN |
1.140 |
1.229 |
0.089 |
CF2O |
Carbonic difluoride |
rCO |
1.174 |
1.263 |
0.089 |
CF3COOH |
trifluoroacetic acid |
rOH |
0.960 |
1.049 |
0.089 |
CF3CN |
Acetonitrile, trifluoro- |
rCF |
1.328 |
1.417 |
0.089 |
CH2CHCH2F |
Allyl Fluoride |
rCC |
1.480 |
1.569 |
0.089 |
CH2CHCH2F |
Allyl Fluoride |
rCC |
1.480 |
1.569 |
0.089 |
C4H5NO |
Isoxazole, 5-methyl- |
rCO |
1.342 |
1.430 |
0.088 |
CH2ClCHCHCH3 |
2-Butene, 1-chloro- |
rCCl |
1.807 |
1.895 |
0.088 |
SiCl |
Clorosilylidyne |
rSiCl |
2.061 |
2.149 |
0.088 |
H2SO4 |
Sulfuric acid |
rOH |
0.970 |
1.058 |
0.088 |
CHONH2 |
formamide |
rCN |
1.350 |
1.438 |
0.088 |
N(CH3)3 |
Trimethylamine |
rCN |
1.451 |
1.539 |
0.088 |
S2 |
Sulfur diatomic |
rSS |
1.889 |
1.977 |
0.088 |
S2 |
Sulfur diatomic |
rSS |
1.889 |
1.977 |
0.088 |
SiHF3 |
trifluorosilane |
rSiF |
1.563 |
1.650 |
0.088 |
NH2OH |
hydroxylamine |
rOH |
0.962 |
1.050 |
0.088 |
NH2OH |
hydroxylamine |
rOH |
0.962 |
1.050 |
0.088 |
H2S2 |
Disulfane |
rSS |
2.056 |
2.144 |
0.088 |
CHOOCHO |
diformyl ether |
rCO |
1.389 |
1.476 |
0.088 |
S8 |
Octasulfur |
rSS |
2.059 |
2.147 |
0.088 |
NH2OH |
hydroxylamine |
rOH |
0.962 |
1.050 |
0.088 |
CH2ClCHCl2 |
1,1,2-trichloroethane |
rCCl |
1.776 |
1.863 |
0.087 |
CH3CH(CH3)ONO |
Isopropyl nitrite |
rCO |
1.432 |
1.519 |
0.087 |
Al2 |
Aluminum diatomic |
rAlAl |
2.701 |
2.614 |
-0.087 |
HSiCl |
Chlorosilylene |
rSiCl |
2.067 |
2.154 |
0.087 |
C6H5OH |
phenol |
rOH |
0.956 |
1.043 |
0.087 |
HOI |
Hypoiodous acid |
rOH |
0.967 |
1.054 |
0.087 |
C3H6O |
2-Propen-1-ol |
rOH |
0.960 |
1.047 |
0.087 |
H2O |
Water |
rOH |
0.958 |
1.044 |
0.087 |
H2O |
Water |
rOH |
0.958 |
1.044 |
0.086 |
C3H5Cl |
1-chloro-1-propene(Z) |
rCCl |
1.735 |
1.821 |
0.086 |
C2F4 |
Tetrafluoroethylene |
rCC |
1.311 |
1.397 |
0.086 |
HSSSH |
trisulfane |
rSS |
2.053 |
2.139 |
0.086 |
HSSSH |
trisulfane |
rSS |
2.053 |
2.139 |
0.086 |
HSSSH |
trisulfane |
rSS |
2.053 |
2.139 |
0.086 |
HSSSH |
trisulfane |
rSS |
2.053 |
2.139 |
0.086 |
HCNO |
fulminic acid |
rCN |
1.168 |
1.254 |
0.086 |
HCNO |
fulminic acid |
rCN |
1.168 |
1.254 |
0.086 |
C4H5NO |
3-Methylisoxazole |
rNO |
1.403 |
1.489 |
0.086 |
H2O+ |
water cation |
rOH |
0.999 |
1.084 |
0.085 |
H2O+ |
water cation |
rOH |
0.999 |
1.084 |
0.085 |
HSSSH |
trisulfane |
rSS |
2.054 |
2.139 |
0.085 |
HSSSH |
trisulfane |
rSS |
2.054 |
2.139 |
0.085 |
HSSSH |
trisulfane |
rSS |
2.054 |
2.139 |
0.085 |
HSSSH |
trisulfane |
rSS |
2.054 |
2.139 |
0.085 |
C4H4N2 |
1,3-Diazine |
rCN |
1.328 |
1.413 |
0.085 |
AsCl3 |
Arsenous trichloride |
rClAs |
2.166 |
2.250 |
0.085 |
C4H5NO |
Isoxazole, 5-methyl- |
rCN |
1.310 |
1.394 |
0.084 |
HOCO+ |
Hydrocarboxyl cation |
rCO |
1.140 |
1.224 |
0.084 |
CH2 |
Methylene |
rCH |
1.085 |
1.169 |
0.084 |
CH2 |
Methylene |
rCH |
1.085 |
1.169 |
0.084 |
CH2 |
Methylene |
rCH |
1.085 |
1.169 |
0.084 |
CH2 |
Methylene |
rCH |
1.085 |
1.169 |
0.084 |
C4H10O |
Ethoxy ethane |
rCO |
1.411 |
1.495 |
0.084 |
NH2 |
Amino radical |
rNH |
1.024 |
1.108 |
0.084 |
NH2 |
Amino radical |
rNH |
1.024 |
1.108 |
0.084 |
C4H5NO |
Isoxazole, 5-methyl- |
rNO |
1.403 |
1.487 |
0.084 |
HClO4 |
perchloric acid |
rOH |
0.980 |
1.064 |
0.084 |
SeO3 |
selenium trioxide |
rSeO |
1.688 |
1.772 |
0.084 |
N2H2 |
(E)-diazene |
rNH |
1.028 |
1.112 |
0.084 |
N2H2 |
(E)-diazene |
rNH |
1.028 |
1.112 |
0.084 |
NH2 |
Amino radical |
rNH |
1.024 |
1.108 |
0.084 |
HOCl |
hypochlorous acid |
rOH |
0.973 |
1.057 |
0.084 |
CH2CHCH2F |
Allyl Fluoride |
rCC |
1.480 |
1.564 |
0.084 |
CH2CHCH2F |
Allyl Fluoride |
rCC |
1.480 |
1.564 |
0.084 |
CH3CH2Cl |
Ethyl chloride |
rCCl |
1.789 |
1.873 |
0.084 |
SiH2Cl2 |
dichlorosilane |
rSiCl |
2.033 |
2.117 |
0.084 |
SiH2Cl2 |
dichlorosilane |
rSiCl |
2.033 |
2.117 |
0.084 |
PBr3 |
Phosphorus tribromide |
rPBr |
2.220 |
2.304 |
0.084 |
HOCl |
hypochlorous acid |
rOH |
0.973 |
1.057 |
0.084 |
CH2CHOH |
ethenol |
rOH |
0.960 |
1.044 |
0.084 |
Br2 |
Bromine diatomic |
rBrBr |
2.281 |
2.364 |
0.083 |
CO2 |
Carbon dioxide |
rCO |
1.162 |
1.245 |
0.083 |
CO2 |
Carbon dioxide |
rCO |
1.162 |
1.245 |
0.083 |
CH3CF3 |
Ethane, 1,1,1-trifluoro- |
rCF |
1.340 |
1.423 |
0.083 |
CO2 |
Carbon dioxide |
rCO |
1.162 |
1.245 |
0.083 |
CH3COCH2CH3 |
2-Butanone |
rCC |
1.512 |
1.595 |
0.083 |
CH3COF |
Acetyl fluoride |
rCC |
1.503 |
1.586 |
0.083 |
CF3Br |
Bromotrifluoromethane |
rCF |
1.327 |
1.409 |
0.083 |
CF3Br |
Bromotrifluoromethane |
rCF |
1.327 |
1.409 |
0.083 |
C2H6N2O2 |
Dimethylnitroamine |
rCN |
1.460 |
1.543 |
0.082 |
CH3COF |
Acetyl fluoride |
rCO |
1.181 |
1.263 |
0.082 |
NH2CN |
cyanamide |
rCN |
1.347 |
1.429 |
0.082 |
C3F8 |
perfluoropropane |
rCF |
1.330 |
1.412 |
0.082 |
NH2F |
monofluoroamine |
rNH |
1.023 |
1.104 |
0.082 |
S4 |
Sulfur tetramer |
rSS |
1.898 |
1.980 |
0.082 |
S4 |
Sulfur tetramer |
rSS |
1.898 |
1.980 |
0.082 |
HOCO+ |
Hydrocarboxyl cation |
rOH |
0.977 |
1.058 |
0.081 |
SiI4 |
silicon tetraiodide |
rSiI |
2.432 |
2.513 |
0.081 |
CH3CH2O |
Ethoxy radical |
rCO |
1.388 |
1.469 |
0.081 |
CH2ClCH2Cl |
Ethane, 1,2-dichloro- |
rCCl |
1.790 |
1.871 |
0.081 |
CH2ClCH2Cl |
Ethane, 1,2-dichloro- |
rCCl |
1.790 |
1.871 |
0.081 |
FCO |
Carbonyl fluoride |
rCO |
1.180 |
1.261 |
0.081 |
C4H5NO |
3-Methylisoxazole |
rCO |
1.342 |
1.423 |
0.081 |
BC |
boron monocarbide |
rBC |
1.491 |
1.410 |
-0.081 |
C2H5F |
fluoroethane |
rCC |
1.505 |
1.586 |
0.081 |
C3H5ClO |
Oxirane, (chloromethyl)- |
rCCl |
1.798 |
1.879 |
0.081 |
Ne2+ |
Neon diatomic cation |
rNeNe |
1.765 |
1.684 |
-0.081 |
CH2C(CH3)OCH3 |
1-Propene, 2-methoxy- |
rCO |
1.416 |
1.497 |
0.081 |
CH2CHCH2F |
Allyl Fluoride |
rCC |
1.488 |
1.569 |
0.081 |
CH2CHCH2F |
Allyl Fluoride |
rCC |
1.488 |
1.569 |
0.081 |
C4H10O2 |
Ethane, 1,2-dimethoxy- |
rCO |
1.410 |
1.491 |
0.081 |
AsF5 |
Arsenic pentafluoride |
rAsF |
1.711 |
1.791 |
0.080 |
CBrClF2 |
Methane, bromochlorodifluoro- |
rCBr |
1.932 |
2.012 |
0.080 |
C4H9N |
Pyrrolidine |
rCN |
1.469 |
1.549 |
0.080 |
CH3CHNOH |
Acetaldoxime |
rNO |
1.408 |
1.488 |
0.080 |
CH2ClCHClCH3 |
Propane, 1,2-dichloro- |
rCCl |
1.793 |
1.873 |
0.080 |
HNCO |
Isocyanic acid |
rCN |
1.214 |
1.294 |
0.080 |
ClCOClCO |
Oxalyl chloride |
rCC |
1.534 |
1.614 |
0.080 |
CH3OCH3 |
Dimethyl ether |
rCO |
1.411 |
1.491 |
0.080 |
CH3OCH3 |
Dimethyl ether |
rCO |
1.411 |
1.491 |
0.080 |
CH3COCH2CH3 |
2-Butanone |
rCC |
1.507 |
1.587 |
0.080 |
HFCO |
formyl fluoride |
rCO |
1.181 |
1.261 |
0.080 |
FCN |
Cyanogen fluoride |
rCF |
1.262 |
1.342 |
0.080 |
SiCl2 |
Dichlorosilylene |
rSiCl |
2.076 |
2.156 |
0.080 |
CH3CHNOH |
Acetaldoxime |
rNO |
1.408 |
1.488 |
0.080 |
HCl |
Hydrogen chloride |
rHCl |
1.275 |
1.354 |
0.080 |
HCl |
Hydrogen chloride |
rHCl |
1.275 |
1.354 |
0.080 |
C4H8O2 |
1,3-Dioxolane, 2-methyl- |
rCO |
1.422 |
1.502 |
0.080 |
DCl |
Hydrochloric acid-d |
rDCl |
1.275 |
1.354 |
0.080 |
HCNO |
fulminic acid |
rCH |
1.027 |
1.107 |
0.080 |
HCNO |
fulminic acid |
rCH |
1.027 |
1.106 |
0.079 |
HCl |
Hydrogen chloride |
rHCl |
1.275 |
1.354 |
0.079 |
CH2N2 |
diazirine |
rCN |
1.482 |
1.561 |
0.079 |
HCONHCH3 |
N-methylformamide |
rCN |
1.366 |
1.445 |
0.079 |
C4H10O |
Propane, 2-methoxy- |
rCO |
1.422 |
1.501 |
0.079 |
NH2OH |
hydroxylamine |
rNH |
1.016 |
1.095 |
0.079 |
NH2OH |
hydroxylamine |
rNH |
1.016 |
1.095 |
0.079 |
AlP |
Aluminum monophosphide |
rAlP |
2.400 |
2.321 |
-0.079 |
AlP |
Aluminum monophosphide |
rAlP |
2.400 |
2.321 |
-0.079 |
AlP |
Aluminum monophosphide |
rAlP |
2.400 |
2.321 |
-0.079 |
AlP |
Aluminum monophosphide |
rAlP |
2.400 |
2.321 |
-0.079 |
AlP |
Aluminum monophosphide |
rAlP |
2.400 |
2.321 |
-0.079 |
AlP |
Aluminum monophosphide |
rAlP |
2.400 |
2.321 |
-0.079 |
NH2OH |
hydroxylamine |
rNO |
1.453 |
1.532 |
0.079 |
NH2OH |
hydroxylamine |
rNH |
1.016 |
1.095 |
0.079 |
C3H6O3 |
1,3,5-Trioxane |
rCO |
1.421 |
1.499 |
0.079 |
C3H6O3 |
1,3,5-Trioxane |
rCO |
1.421 |
1.499 |
0.079 |
SiH2F2 |
difluorosilane |
rSiF |
1.576 |
1.655 |
0.079 |
CH2CHCH2CH2Cl |
1-Butene, 4-chloro- |
rCCl |
1.794 |
1.873 |
0.079 |
COBr2 |
Carbonic dibromide |
rCO |
1.172 |
1.251 |
0.079 |
SbF3 |
Antimony Trifluoride |
rFSb |
1.880 |
1.959 |
0.079 |
MgO |
magnesium oxide |
rMgO |
1.749 |
1.670 |
-0.079 |
NH2OH |
hydroxylamine |
rNO |
1.453 |
1.532 |
0.079 |
NH2OH |
hydroxylamine |
rNO |
1.453 |
1.532 |
0.079 |
ClS2 |
Sulfur chloride |
rSS |
1.906 |
1.984 |
0.078 |
CH3NHCH3 |
Dimethylamine |
rCN |
1.462 |
1.540 |
0.078 |
OCS |
Carbonyl sulfide |
rCO |
1.160 |
1.238 |
0.078 |
OCS |
Carbonyl sulfide |
rCO |
1.160 |
1.238 |
0.078 |
PF |
phosphorus monofluoride |
rFP |
1.593 |
1.671 |
0.078 |
NSe |
Nitrogen monoselenide |
rNSe |
1.652 |
1.730 |
0.078 |
C2H5NO3 |
Nitric acid, ethyl ester |
rCO |
1.430 |
1.508 |
0.078 |
CH2ClCH2CH3 |
Propane, 1-chloro- |
rCCl |
1.796 |
1.874 |
0.078 |
CH2ClCH2CH3 |
Propane, 1-chloro- |
rCCl |
1.796 |
1.874 |
0.078 |
CH2ClCH2CH3 |
Propane, 1-chloro- |
rCCl |
1.796 |
1.874 |
0.078 |
CH2ClCH2CH3 |
Propane, 1-chloro- |
rCCl |
1.796 |
1.874 |
0.078 |
HCO |
Formyl radical |
rCH |
1.080 |
1.158 |
0.078 |
HCO |
Formyl radical |
rCH |
1.080 |
1.158 |
0.078 |
HOCH2COOH |
Hydroxyacetic acid |
rCO |
1.349 |
1.427 |
0.078 |
NH2SH |
Thiohydroxylamine |
rHN |
1.008 |
1.086 |
0.078 |
NH2SH |
Thiohydroxylamine |
rHN |
1.008 |
1.086 |
0.078 |
NH2SH |
Thiohydroxylamine |
rHN |
1.008 |
1.086 |
0.078 |
NH2SH |
Thiohydroxylamine |
rHN |
1.008 |
1.086 |
0.078 |
CH2ClCH2CH3 |
Propane, 1-chloro- |
rCCl |
1.796 |
1.874 |
0.078 |
CH2ClCH2CH3 |
Propane, 1-chloro- |
rCCl |
1.796 |
1.874 |
0.078 |
CH2ClCH2CH3 |
Propane, 1-chloro- |
rCCl |
1.796 |
1.874 |
0.078 |
CH2ClCH2CH3 |
Propane, 1-chloro- |
rCCl |
1.796 |
1.874 |
0.078 |
HNCS |
Isothiocyanic acid |
rHN |
0.993 |
1.070 |
0.078 |
HNCO |
Isocyanic acid |
rNH |
0.995 |
1.072 |
0.078 |
HCO |
Formyl radical |
rCH |
1.080 |
1.157 |
0.077 |
CH2ClCHO |
chloroacetaldehyde |
rCCl |
1.782 |
1.859 |
0.077 |
CO |
Carbon monoxide |
rCO |
1.128 |
1.206 |
0.077 |
CO |
Carbon monoxide |
rCO |
1.128 |
1.206 |
0.077 |
HO2 |
Hydroperoxy radical |
rOO |
1.331 |
1.408 |
0.077 |
H2S2 |
Disulfane |
rSS |
2.056 |
2.134 |
0.077 |
SiF2 |
Silicon difluoride |
rFSi |
1.590 |
1.667 |
0.077 |
HNCO |
Isocyanic acid |
rCO |
1.164 |
1.240 |
0.077 |
CH2NOH |
formaldoxime |
rNO |
1.408 |
1.485 |
0.077 |
CH3CHNOH |
Acetaldoxime |
rCN |
1.276 |
1.352 |
0.076 |
HCOOH |
Formic acid |
rOH |
0.972 |
1.048 |
0.076 |
HCOOH |
Formic acid |
rOH |
0.972 |
1.048 |
0.076 |
HCOOH |
Formic acid |
rOH |
0.972 |
1.048 |
0.076 |
CH3CHNOH |
Acetaldoxime |
rCN |
1.276 |
1.352 |
0.076 |
LiCl |
lithium chloride |
rLiCl |
2.021 |
1.944 |
-0.076 |
LiCl |
lithium chloride |
rLiCl |
2.021 |
1.944 |
-0.076 |
SiF2 |
Silicon difluoride |
rFSi |
1.590 |
1.666 |
0.076 |
C4H6O |
Cyclobutanone |
rCC |
1.527 |
1.603 |
0.076 |
CH3CH2CHO |
Propanal |
rCC |
1.509 |
1.585 |
0.076 |
CH3CHO |
Acetaldehyde |
rCC |
1.501 |
1.576 |
0.076 |
C2H5N |
Aziridine |
rNH |
1.016 |
1.092 |
0.076 |
CH2CHCH2F |
Allyl Fluoride |
rCC |
1.488 |
1.564 |
0.076 |
CH2CHCH2F |
Allyl Fluoride |
rCC |
1.488 |
1.564 |
0.076 |
NH2SH |
Thiohydroxylamine |
rHN |
1.008 |
1.084 |
0.076 |
NH2SH |
Thiohydroxylamine |
rHN |
1.008 |
1.084 |
0.076 |
NH2SH |
Thiohydroxylamine |
rHN |
1.008 |
1.084 |
0.076 |
NH2SH |
Thiohydroxylamine |
rHN |
1.008 |
1.084 |
0.076 |
CH3CH2CHO |
Propanal |
rCC |
1.509 |
1.585 |
0.076 |
C4H10O2 |
Ethane, 1,2-dimethoxy- |
rCC |
1.504 |
1.580 |
0.076 |
CH3CHO |
Acetaldehyde |
rCC |
1.501 |
1.576 |
0.076 |
C5H11N |
Piperidine |
rCN |
1.472 |
1.548 |
0.076 |
C3H8O2 |
Propylene glycol |
rCC |
1.540 |
1.615 |
0.075 |
FCO |
Carbonyl fluoride |
rCF |
1.326 |
1.401 |
0.075 |
C5H8O |
Methyl cyclopropyl ketone |
rCC |
1.510 |
1.585 |
0.075 |
F2CCCF2 |
tetrafluoroallene |
rCF |
1.320 |
1.395 |
0.075 |
MgH |
magnesium monohydride |
rMgH |
1.730 |
1.655 |
-0.075 |
C3H4N2 |
1H-Pyrazole |
rCN |
1.332 |
1.407 |
0.075 |
CH3CH2OH |
Ethanol |
rOH |
0.971 |
1.046 |
0.075 |
SbCl3 |
Antimony Trichloride |
rSbCl |
2.333 |
2.408 |
0.075 |
CH3CH2OH |
Ethanol |
rOH |
0.971 |
1.046 |
0.075 |
C2H8N2 |
Ethylenediamine |
rCN |
1.469 |
1.544 |
0.075 |
C5H10O |
2H-Pyran, tetrahydro- |
rCO |
1.420 |
1.495 |
0.075 |
CH3OC2H5 |
Ethane, methoxy- |
rCO |
1.415 |
1.490 |
0.075 |
C5H12O |
Butane, 1-methoxy- |
rCO |
1.415 |
1.490 |
0.075 |
NH2CONH2 |
Urea |
rCN |
1.378 |
1.452 |
0.075 |
C3H3N3 |
1,3,5-Triazine |
rCN |
1.338 |
1.412 |
0.074 |
H2NCH2COOH |
Glycine |
rOH |
0.974 |
1.048 |
0.074 |
C2H4O |
Ethylene oxide |
rCO |
1.425 |
1.499 |
0.074 |
BH3CO |
Borane carbonyl |
rCO |
1.135 |
1.209 |
0.074 |
C4H4N2 |
Pyrazine |
rCN |
1.338 |
1.411 |
0.074 |
C2F4 |
Tetrafluoroethylene |
rCF |
1.319 |
1.393 |
0.074 |
CH3ONO |
Methyl nitrite |
rCO |
1.437 |
1.511 |
0.074 |
BH3CO |
Borane carbonyl |
rCO |
1.135 |
1.209 |
0.074 |
N2H4 |
Hydrazine |
rNH |
1.016 |
1.090 |
0.074 |
N2H4 |
Hydrazine |
rNH |
1.016 |
1.090 |
0.074 |
C2H4O |
Ethylene oxide |
rCO |
1.425 |
1.499 |
0.074 |
CH2CO |
Ketene |
rCO |
1.162 |
1.236 |
0.074 |
CH2CO |
Ketene |
rCO |
1.162 |
1.236 |
0.074 |
AsF3 |
Arsenic trifluoride |
rAsF |
1.706 |
1.779 |
0.073 |
CH2ClCH2Cl |
Ethane, 1,2-dichloro- |
rCCl |
1.790 |
1.863 |
0.073 |
CH2ClCH2Cl |
Ethane, 1,2-dichloro- |
rCCl |
1.790 |
1.863 |
0.073 |
C5H11N |
Piperidine |
rCN |
1.472 |
1.545 |
0.073 |
CH |
Methylidyne |
rCH |
1.120 |
1.193 |
0.073 |
CH |
Methylidyne |
rCH |
1.120 |
1.193 |
0.073 |
HCOOH |
Formic acid |
rOH |
0.972 |
1.045 |
0.073 |
OCSe |
Carbonyl selenide |
rCO |
1.159 |
1.232 |
0.073 |
OCSe |
Carbonyl selenide |
rCO |
1.159 |
1.232 |
0.073 |
CHOOCHO |
diformyl ether |
rCO |
1.184 |
1.257 |
0.073 |
C2HF3 |
Trifluoroethylene |
rCF |
1.316 |
1.389 |
0.073 |
C2F2 |
difluoroacetylene |
rCC |
1.187 |
1.259 |
0.073 |
CH2ClCHO |
chloroacetaldehyde |
rCC |
1.521 |
1.594 |
0.073 |
CF3Cl |
Methane, chlorotrifluoro- |
rCF |
1.325 |
1.398 |
0.073 |
HF+ |
hydrogen fluoride cation |
rHF |
1.014 |
1.087 |
0.073 |
HF+ |
hydrogen fluoride cation |
rHF |
1.014 |
1.087 |
0.073 |
HNCNH |
diiminomethane |
rNH |
1.007 |
1.080 |
0.073 |
HNCNH |
diiminomethane |
rNH |
1.007 |
1.080 |
0.073 |
CF3Cl |
Methane, chlorotrifluoro- |
rCF |
1.325 |
1.398 |
0.073 |
C4H2O3 |
Maleic Anhydride |
rCO |
1.192 |
1.265 |
0.073 |
HNCS |
Isothiocyanic acid |
rCN |
1.207 |
1.279 |
0.073 |
C3H8O2 |
Propylene glycol |
rOH |
1.000 |
1.072 |
0.072 |
CF3COOH |
trifluoroacetic acid |
rCO |
1.192 |
1.264 |
0.072 |
KrH+ |
Protonated Krypton |
rHKr |
1.421 |
1.493 |
0.072 |
CH2NOH |
formaldoxime |
rCN |
1.276 |
1.348 |
0.072 |
NHF2 |
difluoramine |
rNF |
1.400 |
1.472 |
0.072 |
CH3NH2 |
methyl amine |
rCN |
1.471 |
1.543 |
0.072 |
CH3NH2 |
methyl amine |
rCN |
1.471 |
1.543 |
0.072 |
SiH3Cl |
chlorosilane |
rSiCl |
2.051 |
2.122 |
0.072 |
HOCH2COOH |
Hydroxyacetic acid |
rCO |
1.406 |
1.478 |
0.072 |
SiH3Cl |
chlorosilane |
rSiCl |
2.051 |
2.122 |
0.072 |
CH3NH2 |
methyl amine |
rCN |
1.471 |
1.543 |
0.072 |
HO2 |
Hydroperoxy radical |
rOO |
1.331 |
1.402 |
0.072 |
C2N2 |
Cyanogen |
rCN |
1.154 |
1.226 |
0.072 |
C2N2 |
Cyanogen |
rCN |
1.154 |
1.226 |
0.072 |
C4H8O2 |
Ethyl acetate |
rCC |
1.508 |
1.580 |
0.072 |
CH3Cl |
Methyl chloride |
rCCl |
1.785 |
1.857 |
0.072 |
CH3Cl |
Methyl chloride |
rCCl |
1.785 |
1.857 |
0.072 |
C4H4N2 |
Pyridazine |
rCN |
1.341 |
1.413 |
0.072 |
CH3Cl |
Methyl chloride |
rCCl |
1.785 |
1.857 |
0.071 |
C2H6O2 |
1,2-Ethanediol |
rCO |
1.420 |
1.491 |
0.071 |
CH2NH |
Methanimine |
rNH |
1.023 |
1.094 |
0.071 |
CH2NH |
Methanimine |
rNH |
1.023 |
1.094 |
0.071 |
CH3OCHO |
methyl formate |
rCO |
1.437 |
1.508 |
0.071 |
CH2CF2 |
Ethene, 1,1-difluoro- |
rCF |
1.315 |
1.386 |
0.071 |
C3H6O |
2-Propen-1-ol |
rCO |
1.428 |
1.499 |
0.071 |
H2NCH2COOH |
Glycine |
rCN |
1.469 |
1.540 |
0.071 |
HCONHCH3 |
N-methylformamide |
rCN |
1.366 |
1.437 |
0.071 |
C2H2O2 |
Ethanedial |
rCC |
1.526 |
1.597 |
0.071 |
CF |
Fluoromethylidyne |
rCF |
1.276 |
1.347 |
0.071 |
CF |
Fluoromethylidyne |
rCF |
1.276 |
1.347 |
0.071 |
CH2F2 |
Methane, difluoro- |
rCF |
1.351 |
1.421 |
0.070 |
CH2F2 |
Methane, difluoro- |
rCF |
1.351 |
1.421 |
0.070 |
C5H5N |
Pyridine |
rCN |
1.340 |
1.410 |
0.070 |
MgCl2 |
Magnesium dichloride |
rMgCl |
2.180 |
2.110 |
-0.070 |
CH3CHFCH3 |
2-Fluoropropane |
rCC |
1.521 |
1.591 |
0.070 |
C3H3NO |
Oxazole |
rCN |
1.292 |
1.362 |
0.070 |
C2H2O2 |
Ethanedial |
rCC |
1.526 |
1.596 |
0.070 |
HOCH2COOH |
Hydroxyacetic acid |
rCO |
1.210 |
1.280 |
0.070 |
SiF+ |
silicon monofluoride cation |
rFSi |
1.527 |
1.597 |
0.070 |
SiF+ |
silicon monofluoride cation |
rFSi |
1.527 |
1.597 |
0.070 |
SeS |
Selenium monosulfide |
rSSe |
2.037 |
2.106 |
0.070 |
Se2 |
Selenium diatomic |
rSeSe |
2.166 |
2.236 |
0.070 |
C4H6O |
Furan, 2,5-dihydro- |
rCO |
1.440 |
1.510 |
0.070 |
CH2CHCHO |
Acrolein |
rCC |
1.468 |
1.538 |
0.070 |
CH2CHCHO |
Acrolein |
rCC |
1.468 |
1.538 |
0.070 |
C4F6 |
perfluorobutadiene |
rCC |
1.336 |
1.406 |
0.070 |
CH(CN)3 |
tricyanomethane |
rCC |
1.460 |
1.530 |
0.070 |
CH3CH2NH2 |
Ethylamine |
rCN |
1.475 |
1.544 |
0.069 |
CHF2CHF2 |
1,1,2,2-tetrafluoroethane |
rCF |
1.348 |
1.417 |
0.069 |
CHF2CHF2 |
1,1,2,2-tetrafluoroethane |
rCF |
1.348 |
1.417 |
0.069 |
NH2CONH2 |
Urea |
rNH |
0.998 |
1.067 |
0.069 |
SiBr4 |
Silicon tetrabromide |
rSiBr |
2.183 |
2.252 |
0.069 |
C4H4O |
Furan |
rCO |
1.362 |
1.431 |
0.069 |
NH2CONH2 |
Urea |
rNH |
0.998 |
1.067 |
0.069 |
NH2CONH2 |
Urea |
rNH |
0.998 |
1.067 |
0.069 |
HNO |
Nitrosyl hydride |
rNH |
1.090 |
1.159 |
0.069 |
GeH3CH3 |
methyl germane |
rCGe |
1.945 |
1.877 |
-0.069 |
NF |
nitrogen fluoride |
rNF |
1.317 |
1.386 |
0.069 |
NF |
nitrogen fluoride |
rNF |
1.317 |
1.386 |
0.069 |
HNO |
Nitrosyl hydride |
rNH |
1.090 |
1.159 |
0.069 |
C4H4O |
Furan |
rCO |
1.362 |
1.431 |
0.069 |
FCN |
Cyanogen fluoride |
rCN |
1.159 |
1.228 |
0.069 |
HNCNH |
diiminomethane |
rCN |
1.224 |
1.292 |
0.068 |
HNCNH |
diiminomethane |
rCN |
1.224 |
1.292 |
0.068 |
C3H3NO |
Oxazole |
rCO |
1.357 |
1.425 |
0.068 |
CH2ClCHO |
chloroacetaldehyde |
rCC |
1.521 |
1.589 |
0.068 |
C4F6 |
perfluorobutadiene |
rCC |
1.336 |
1.404 |
0.068 |
LiNH2 |
lithium amide |
rLiN |
1.736 |
1.668 |
-0.068 |
C4H10O |
Propane, 2-methoxy- |
rCC |
1.519 |
1.586 |
0.067 |
C3H7N |
Cyclopropylamine |
rNH |
1.011 |
1.078 |
0.067 |
AlNC |
Aluminum isocyanide |
rNC |
1.163 |
1.230 |
0.067 |
CH3CONH2 |
Acetamide |
rCC |
1.519 |
1.586 |
0.067 |
MgF2 |
Magnesium fluoride |
rFMg |
1.770 |
1.703 |
-0.067 |
H2NCH2COOH |
Glycine |
rNH |
1.014 |
1.081 |
0.067 |
C4H6 |
1-Methylcyclopropene |
rCC |
1.476 |
1.543 |
0.067 |
C5H10 |
2-Pentene, (E)- |
rCC |
1.484 |
1.551 |
0.067 |
C3H4O |
Cyclopropanone |
rCO |
1.191 |
1.258 |
0.067 |
C3H4O |
Cyclopropanone |
rCO |
1.191 |
1.258 |
0.067 |
MgOH |
magnesium hydroxide |
rMgO |
1.767 |
1.833 |
0.066 |
MgOH |
magnesium hydroxide |
rMgO |
1.767 |
1.833 |
0.066 |
C3F6 |
hexafluoropropene |
rCC |
1.329 |
1.395 |
0.066 |
C4F6 |
perfluorobutadiene |
rCF |
1.323 |
1.389 |
0.066 |
NH3 |
Ammonia |
rNH |
1.012 |
1.078 |
0.066 |
NH3 |
Ammonia |
rNH |
1.012 |
1.078 |
0.066 |
NH3 |
Ammonia |
rNH |
1.012 |
1.078 |
0.066 |
CH3CH2O |
Ethoxy radical |
rCC |
1.521 |
1.587 |
0.066 |
GeF2 |
Germanium difluoride |
rGeCl |
1.732 |
1.666 |
-0.066 |
CH3COCH3 |
Acetone |
rCC |
1.520 |
1.586 |
0.066 |
C4F6 |
perfluorobutadiene |
rCF |
1.323 |
1.389 |
0.066 |
SiBr+ |
Silicon monobromide cation |
rSiBr |
2.095 |
2.161 |
0.066 |
CHF3 |
Methane, trifluoro- |
rCH |
1.091 |
1.157 |
0.066 |
CF2CCl2 |
difluorodichloroethylene |
rCF |
1.315 |
1.380 |
0.065 |
C6H5OH |
phenol |
rCO |
1.364 |
1.429 |
0.065 |
CHSNH2 |
thioformamide |
rCN |
1.358 |
1.423 |
0.065 |
CH3COCH3 |
Acetone |
rCC |
1.520 |
1.585 |
0.065 |
NF |
nitrogen fluoride |
rNF |
1.317 |
1.382 |
0.065 |
C3 |
carbon trimer |
rCC |
1.277 |
1.343 |
0.065 |
C3H6O |
Propylene oxide |
rCO |
1.436 |
1.501 |
0.065 |
C3 |
carbon trimer |
rCC |
1.277 |
1.342 |
0.065 |
C3 |
carbon trimer |
rCC |
1.277 |
1.342 |
0.065 |
C3 |
carbon trimer |
rCC |
1.277 |
1.342 |
0.065 |
C3 |
carbon trimer |
rCC |
1.277 |
1.342 |
0.065 |
HBr+ |
hydrogen bromide cation |
rHBr |
1.448 |
1.513 |
0.065 |
HBr+ |
hydrogen bromide cation |
rHBr |
1.448 |
1.513 |
0.065 |
CHF3 |
Methane, trifluoro- |
rCH |
1.091 |
1.156 |
0.065 |
ClCOClCO |
Oxalyl chloride |
rCO |
1.182 |
1.247 |
0.065 |
C5H11N |
Piperidine |
rNH |
1.015 |
1.080 |
0.065 |
CH3O |
Methoxy radical |
rCO |
1.405 |
1.470 |
0.065 |
CCl2O |
Phosgene |
rCO |
1.177 |
1.241 |
0.065 |
SiH3F |
monofluorosilane |
rSiF |
1.595 |
1.659 |
0.065 |
C4 |
Carbon tetramer |
rCC |
1.304 |
1.369 |
0.064 |
CH2CHCHO |
Acrolein |
rCC |
1.468 |
1.532 |
0.064 |
CH2CHCHO |
Acrolein |
rCC |
1.468 |
1.532 |
0.064 |
CH2CHCHO |
Acrolein |
rCC |
1.468 |
1.532 |
0.064 |
CH2CHCHO |
Acrolein |
rCC |
1.468 |
1.532 |
0.064 |
CH3NO3 |
Methyl nitrate |
rCO |
1.437 |
1.501 |
0.064 |
C3H7NO |
dimethylformamide |
rCN |
1.391 |
1.455 |
0.064 |
C3H7NO |
dimethylformamide |
rCN |
1.391 |
1.455 |
0.064 |
NF2 |
Difluoroamino radical |
rNF |
1.370 |
1.434 |
0.064 |
NF2 |
Difluoroamino radical |
rNF |
1.370 |
1.434 |
0.064 |
C5H11N |
Piperidine |
rNH |
1.015 |
1.079 |
0.064 |
C3H2O3 |
vinylene carbonate |
rCO |
1.191 |
1.255 |
0.064 |
Se2 |
Selenium diatomic |
rSeSe |
2.166 |
2.230 |
0.064 |
Se2 |
Selenium diatomic |
rSeSe |
2.166 |
2.230 |
0.064 |
H2NCH2COOH |
Glycine |
rCC |
1.532 |
1.596 |
0.064 |
HCCCN |
Cyanoacetylene |
rCN |
1.161 |
1.224 |
0.064 |
C6F6 |
hexafluorobenzene |
rCF |
1.325 |
1.389 |
0.064 |
XeH+ |
Xenon, protonated |
rXeH |
1.603 |
1.667 |
0.064 |
C4H10O |
Ethanol, 1,1-dimethyl- |
rCC |
1.529 |
1.592 |
0.063 |
NH2CN |
cyanamide |
rNH |
1.006 |
1.069 |
0.063 |
HNC |
hydrogen isocyanide |
rNH |
0.986 |
1.050 |
0.063 |
CBr4 |
Carbon tetrabromide |
rCBr |
1.942 |
2.005 |
0.063 |
CF3CN |
Acetonitrile, trifluoro- |
rCN |
1.154 |
1.217 |
0.063 |
Se2 |
Selenium diatomic |
rSeSe |
2.166 |
2.229 |
0.063 |
C6H8 |
Bicyclo[3.1.0]hex-2-ene |
rCC |
1.482 |
1.545 |
0.063 |
HFCO |
formyl fluoride |
rCF |
1.338 |
1.401 |
0.063 |
NH2CN |
cyanamide |
rCN |
1.159 |
1.222 |
0.063 |
CH2ClCHCHCH3 |
2-Butene, 1-chloro- |
rCCl |
1.807 |
1.870 |
0.063 |
CH2 |
Methylene |
rCH |
1.107 |
1.169 |
0.062 |
CH2 |
Methylene |
rCH |
1.107 |
1.169 |
0.062 |
CH2 |
Methylene |
rCH |
1.107 |
1.169 |
0.062 |
CH2 |
Methylene |
rCH |
1.107 |
1.169 |
0.062 |
CH3OCHO |
methyl formate |
rCO |
1.200 |
1.262 |
0.062 |
C4H8O2 |
Ethyl acetate |
rCO |
1.203 |
1.265 |
0.062 |
HCOOH |
Formic acid |
rCO |
1.202 |
1.264 |
0.062 |
HCOOH |
Formic acid |
rCO |
1.202 |
1.264 |
0.062 |
HCOOH |
Formic acid |
rCO |
1.202 |
1.264 |
0.062 |
CH3NC |
methyl isocyanide |
rCN |
1.166 |
1.228 |
0.062 |
C4 |
Carbon tetramer |
rCC |
1.304 |
1.366 |
0.062 |
CHOOCHO |
diformyl ether |
rCO |
1.195 |
1.257 |
0.062 |
C2H4O |
Ethylene oxide |
rCC |
1.459 |
1.521 |
0.062 |
C3H7NO |
dimethylformamide |
rCN |
1.391 |
1.453 |
0.062 |
C3H7NO |
dimethylformamide |
rCN |
1.391 |
1.453 |
0.062 |
C5H4O2 |
4-Cyclopentene-1,3-dione |
rCO |
1.208 |
1.270 |
0.062 |
C2H4O |
Ethylene oxide |
rCC |
1.459 |
1.521 |
0.062 |
C3H8O2 |
1,3-Propanediol |
rOH |
0.980 |
1.041 |
0.061 |
C3H5ClO |
Oxirane, (chloromethyl)- |
rCO |
1.442 |
1.503 |
0.061 |
BrCN |
Cyanogen bromide |
rCN |
1.158 |
1.219 |
0.061 |
C5H10O |
2-Butanone, 3-methyl- |
rCC |
1.525 |
1.586 |
0.061 |
ClCN |
chlorocyanogen |
rCN |
1.161 |
1.222 |
0.061 |
HCCl |
Chloromethylene |
rCH |
1.119 |
1.180 |
0.061 |
C5H5N |
Bicyclo[1.1.0]butane-1-carbonitrile |
rCC |
1.498 |
1.559 |
0.061 |
C4H8O2 |
1,3-Dioxane |
rCO |
1.439 |
1.500 |
0.061 |
CH3CH2OH |
Ethanol |
rCO |
1.431 |
1.492 |
0.061 |
AlP |
Aluminum monophosphide |
rAlP |
2.260 |
2.321 |
0.061 |
AlP |
Aluminum monophosphide |
rAlP |
2.260 |
2.321 |
0.061 |
AlP |
Aluminum monophosphide |
rAlP |
2.260 |
2.321 |
0.061 |
AlP |
Aluminum monophosphide |
rAlP |
2.260 |
2.321 |
0.061 |
AlP |
Aluminum monophosphide |
rAlP |
2.260 |
2.321 |
0.061 |
AlP |
Aluminum monophosphide |
rAlP |
2.260 |
2.321 |
0.061 |
C4H4N2 |
1,3-Diazine |
rCN |
1.350 |
1.411 |
0.061 |
H2NCH2COOH |
Glycine |
rCO |
1.207 |
1.268 |
0.061 |
C3F6 |
hexafluoropropene |
rCF |
1.329 |
1.390 |
0.061 |
CH2F2 |
Methane, difluoro- |
rCH |
1.084 |
1.145 |
0.061 |
CH2F2 |
Methane, difluoro- |
rCH |
1.084 |
1.144 |
0.060 |
CH3CH2OH |
Ethanol |
rCO |
1.431 |
1.491 |
0.060 |
NH2CN |
cyanamide |
rCN |
1.159 |
1.220 |
0.060 |
CH3NH2 |
methyl amine |
rNH |
1.018 |
1.079 |
0.060 |
CH3NH2 |
methyl amine |
rNH |
1.018 |
1.079 |
0.060 |
CH3NH2 |
methyl amine |
rNH |
1.018 |
1.079 |
0.060 |
H3O+ |
hydronium cation |
rOH |
0.976 |
1.036 |
0.060 |
H3O+ |
hydronium cation |
rOH |
0.976 |
1.036 |
0.060 |
C3H8O2 |
1,3-Propanediol |
rCC |
1.514 |
1.574 |
0.060 |
CH3NC |
methyl isocyanide |
rCN |
1.426 |
1.486 |
0.060 |
CH3OH |
Methyl alcohol |
rCO |
1.427 |
1.487 |
0.060 |
CH3OH |
Methyl alcohol |
rCO |
1.427 |
1.487 |
0.060 |
H2O3 |
Hydrogen trioxide |
rOO |
1.428 |
1.488 |
0.060 |
CH2CHCHO |
Acrolein |
rCO |
1.213 |
1.273 |
0.060 |
CH2CHCHO |
Acrolein |
rCO |
1.213 |
1.273 |
0.060 |
CH3CH(CH3)CN |
Propanenitrile, 2-methyl- |
rCC |
1.522 |
1.582 |
0.060 |
HCF |
Fluoromethylene |
rCF |
1.305 |
1.365 |
0.060 |
CH3OH |
Methyl alcohol |
rCO |
1.427 |
1.487 |
0.060 |
H2CO |
Formaldehyde |
rCO |
1.205 |
1.265 |
0.060 |
CH2CHCHO |
Acrolein |
rCO |
1.213 |
1.273 |
0.060 |
CH2CHCHO |
Acrolein |
rCO |
1.213 |
1.273 |
0.060 |
CH2CHCHO |
Acrolein |
rCO |
1.213 |
1.272 |
0.059 |
CH2CHCHO |
Acrolein |
rCO |
1.213 |
1.272 |
0.059 |
H2CO |
Formaldehyde |
rCO |
1.205 |
1.264 |
0.059 |
H2CO |
Formaldehyde |
rCO |
1.205 |
1.264 |
0.059 |
CH3COCl |
Acetyl Chloride |
rCO |
1.187 |
1.246 |
0.059 |
CHONH2 |
formamide |
rNH |
1.001 |
1.060 |
0.059 |
CHONH2 |
formamide |
rNH |
1.001 |
1.060 |
0.059 |
C3H2N2 |
Malononitrile |
rCC |
1.459 |
1.519 |
0.059 |
SiF |
silicon monofluoride |
rSiF |
1.604 |
1.664 |
0.059 |
SiF |
silicon monofluoride |
rSiF |
1.604 |
1.664 |
0.059 |
CH3CSNH2 |
Ethanethioamide |
rCC |
1.512 |
1.571 |
0.059 |
HCCF |
Fluoroacetylene |
rCF |
1.279 |
1.338 |
0.059 |
C3H2O3 |
vinylene carbonate |
rCO |
1.385 |
1.444 |
0.059 |
HCCF |
Fluoroacetylene |
rCF |
1.279 |
1.338 |
0.059 |
CHONH2 |
formamide |
rNH |
1.001 |
1.060 |
0.059 |
C2H5CN |
ethyl cyanide |
rCN |
1.153 |
1.212 |
0.059 |
CHONH2 |
formamide |
rNH |
1.001 |
1.060 |
0.059 |
C6H5CN |
phenyl cyanide |
rCN |
1.158 |
1.217 |
0.059 |
CH3NHCH3 |
Dimethylamine |
rNH |
1.019 |
1.078 |
0.059 |
CH3COCl |
Acetyl Chloride |
rCC |
1.506 |
1.565 |
0.059 |
C4H9N |
Pyrrolidine |
rNH |
1.020 |
1.079 |
0.059 |
CH2CHCHO |
Acrolein |
rCC |
1.479 |
1.538 |
0.059 |
CH2CHCHO |
Acrolein |
rCC |
1.479 |
1.538 |
0.059 |
CH3COOH |
Acetic acid |
rCC |
1.517 |
1.576 |
0.059 |
CH3CH2OH |
Ethanol |
rCC |
1.512 |
1.571 |
0.059 |
HOCH2COOH |
Hydroxyacetic acid |
rOH |
0.989 |
1.047 |
0.058 |
AsN |
Arsenic mononitride |
rNAs |
1.618 |
1.560 |
-0.058 |
CHOCH(CH3)CH3 |
Propanal, 2-methyl- |
rCO |
1.206 |
1.264 |
0.058 |
C4H10O |
Propane, 2-methoxy- |
rCC |
1.528 |
1.586 |
0.058 |
CH3CHF2 |
Ethane, 1,1-difluoro- |
rCF |
1.364 |
1.422 |
0.058 |
CH3CH2OH |
Ethanol |
rCC |
1.512 |
1.570 |
0.058 |
C5H8O |
2H-Pyran, 3,4-dihydro- |
rCC |
1.516 |
1.574 |
0.058 |
CHF2CHF2 |
1,1,2,2-tetrafluoroethane |
rCF |
1.359 |
1.417 |
0.058 |
CHF2CHF2 |
1,1,2,2-tetrafluoroethane |
rCF |
1.359 |
1.417 |
0.058 |
CHF2CHF2 |
1,1,2,2-tetrafluoroethane |
rCF |
1.359 |
1.417 |
0.058 |
CH3COF |
Acetyl fluoride |
rCF |
1.348 |
1.406 |
0.058 |
CH3CHF2 |
Ethane, 1,1-difluoro- |
rCF |
1.364 |
1.422 |
0.058 |
CN |
Cyano radical |
rCN |
1.172 |
1.230 |
0.058 |
C3H8O2 |
Methane, dimethoxy- |
rCO |
1.432 |
1.490 |
0.058 |
CN |
Cyano radical |
rCN |
1.172 |
1.230 |
0.058 |
CN |
Cyano radical |
rCN |
1.172 |
1.230 |
0.058 |
CH3CHSHCH3 |
2-Propanethiol |
rCC |
1.520 |
1.578 |
0.058 |
CH2ClCHO |
chloroacetaldehyde |
rCO |
1.206 |
1.264 |
0.058 |
LiH |
Lithium Hydride |
rLiH |
1.595 |
1.537 |
-0.058 |
LiH |
Lithium Hydride |
rLiH |
1.595 |
1.537 |
-0.058 |
C2H2O2 |
Ethanedial |
rCO |
1.212 |
1.270 |
0.058 |
CHF2CHF2 |
1,1,2,2-tetrafluoroethane |
rCH |
1.087 |
1.145 |
0.058 |
CHF2CHF2 |
1,1,2,2-tetrafluoroethane |
rCH |
1.087 |
1.145 |
0.058 |
CH2CHCH2F |
Allyl Fluoride |
rCF |
1.370 |
1.428 |
0.058 |
CH2CHCH2F |
Allyl Fluoride |
rCF |
1.370 |
1.428 |
0.058 |
HCOOH |
Formic acid |
rCO |
1.202 |
1.260 |
0.058 |
ClOOCl |
Dichlorine dioxide |
rOO |
1.426 |
1.368 |
-0.058 |
C2H2O2 |
Ethanedial |
rCO |
1.212 |
1.270 |
0.058 |
CH2CHCHO |
Acrolein |
rCO |
1.215 |
1.273 |
0.058 |
CH2CHCHO |
Acrolein |
rCO |
1.215 |
1.273 |
0.058 |
CHOCHCHCH3 |
2-Butenal |
rCC |
1.470 |
1.528 |
0.058 |
CH2CHCHO |
Acrolein |
rCO |
1.215 |
1.273 |
0.058 |
CH2CHCHO |
Acrolein |
rCO |
1.215 |
1.273 |
0.058 |
AsH |
Arsenic monohydride |
rAsH |
1.535 |
1.477 |
-0.057 |
AsH |
Arsenic monohydride |
rAsH |
1.535 |
1.477 |
-0.057 |
CH2CHCHO |
Acrolein |
rCO |
1.215 |
1.272 |
0.057 |
CH2CHCHO |
Acrolein |
rCO |
1.215 |
1.272 |
0.057 |
C4H5N |
Cyclopropanecarbonitrile |
rCN |
1.157 |
1.214 |
0.057 |
ICN |
Cyanogen iodide |
rCN |
1.160 |
1.218 |
0.057 |
C3H6S3 |
1,3,5-Trithiane |
rCS |
1.801 |
1.858 |
0.057 |
AsH |
Arsenic monohydride |
rAsH |
1.535 |
1.477 |
-0.057 |
C10H8 |
Azulene |
rCC |
1.484 |
1.541 |
0.057 |
CH(CN)3 |
tricyanomethane |
rCN |
1.158 |
1.215 |
0.057 |
C3H4O |
Cyclopropanone |
rCC |
1.475 |
1.532 |
0.057 |
C3H4O |
Cyclopropanone |
rCC |
1.475 |
1.532 |
0.057 |
C4 |
Carbon tetramer |
rCC |
1.304 |
1.361 |
0.057 |
C4 |
Carbon tetramer |
rCC |
1.304 |
1.361 |
0.057 |
C2H4S |
Thiirane |
rCC |
1.484 |
1.541 |
0.057 |
C2H4S |
Thiirane |
rCC |
1.484 |
1.541 |
0.057 |
CHONH2 |
formamide |
rCO |
1.210 |
1.266 |
0.056 |
C4H5N |
Pyrrole |
rNH |
0.996 |
1.052 |
0.056 |
C4H5N |
Pyrrole |
rNH |
0.996 |
1.052 |
0.056 |
NaOH |
sodium hydroxide |
rNaO |
1.950 |
1.894 |
-0.056 |
C3H8O2 |
Propylene glycol |
rCO |
1.420 |
1.476 |
0.056 |
HCNO |
fulminic acid |
rCH |
1.027 |
1.083 |
0.056 |
C5H6S |
Thiophene, 3-methyl- |
rCS |
1.714 |
1.770 |
0.056 |
HCNO |
fulminic acid |
rCH |
1.027 |
1.083 |
0.056 |
C5H8 |
Bicyclo[2.1.0]pentane |
rCC |
1.507 |
1.563 |
0.056 |
C5H5N |
Bicyclo[1.1.0]butane-1-carbonitrile |
rCN |
1.162 |
1.218 |
0.056 |
CHFClBr |
fluorochlorobromomethane |
rCBr |
1.928 |
1.984 |
0.056 |
C4H4S |
Thiophene |
rCS |
1.714 |
1.770 |
0.056 |
C4H6O2 |
2,3-Butanedione |
rCO |
1.214 |
1.270 |
0.056 |
C(CN)4 |
tetracyanomethane |
rCN |
1.161 |
1.217 |
0.056 |
GeCl |
Germanium monochloride |
rClGe |
2.164 |
2.108 |
-0.056 |
C5H6 |
1-Buten-3-yne, 2-methyl- |
rCC |
1.501 |
1.557 |
0.056 |
CH2CHCH2F |
Allyl Fluoride |
rHC |
1.050 |
1.105 |
0.055 |
CH2CHCH2F |
Allyl Fluoride |
rHC |
1.050 |
1.105 |
0.055 |
GeCl |
Germanium monochloride |
rClGe |
2.164 |
2.108 |
-0.055 |
O2- |
oxygen diatomic anion |
rOO |
1.350 |
1.405 |
0.055 |
O2- |
oxygen diatomic anion |
rOO |
1.350 |
1.405 |
0.055 |
CH2CHCH2F |
Allyl Fluoride |
rHC |
1.050 |
1.105 |
0.055 |
CH2CHCH2F |
Allyl Fluoride |
rHC |
1.050 |
1.105 |
0.055 |
C(CN)4 |
tetracyanomethane |
rCC |
1.484 |
1.539 |
0.055 |
COBr2 |
Carbonic dibromide |
rCBr |
1.917 |
1.972 |
0.055 |
CH2ClCHClCH3 |
Propane, 1,2-dichloro- |
rCC |
1.519 |
1.574 |
0.055 |
CHONH2 |
formamide |
rCO |
1.210 |
1.265 |
0.055 |
C5H6 |
Propellane |
rCC |
1.525 |
1.580 |
0.055 |
CHONH2 |
formamide |
rCO |
1.210 |
1.265 |
0.055 |
CH2NH |
Methanimine |
rCN |
1.273 |
1.328 |
0.055 |
CH2NH |
Methanimine |
rCN |
1.273 |
1.328 |
0.055 |
CH3CN |
Acetonitrile |
rCN |
1.157 |
1.212 |
0.055 |
CH3CN |
Acetonitrile |
rCN |
1.157 |
1.212 |
0.055 |
C4H6O2 |
2,3-Butanedione |
rCO |
1.214 |
1.269 |
0.055 |
C2H2F2 |
Ethene, 1,2-difluoro-, (Z)- |
rCC |
1.324 |
1.379 |
0.055 |
BH3NH3 |
borane ammonia |
rNH |
1.010 |
1.065 |
0.055 |
BH3NH3 |
borane ammonia |
rNH |
1.010 |
1.065 |
0.055 |
CHFClBr |
fluorochlorobromomethane |
rCBr |
1.928 |
1.983 |
0.055 |
BH3NH3 |
borane ammonia |
rNH |
1.010 |
1.065 |
0.055 |
AlS |
Aluminum sulfide |
rAlS |
2.029 |
1.974 |
-0.055 |
AlS |
Aluminum sulfide |
rAlS |
2.029 |
1.974 |
-0.055 |
C3H6O |
Propylene oxide |
rCC |
1.471 |
1.526 |
0.055 |
CH3COOH |
Acetic acid |
rCO |
1.212 |
1.266 |
0.054 |
C4H8O2 |
1,3-Dioxane |
rCC |
1.528 |
1.582 |
0.054 |
C5H6 |
Cyclopropylacetylene |
rCC |
1.422 |
1.476 |
0.054 |
CHOCHCHCH3 |
2-Butenal |
rCO |
1.219 |
1.273 |
0.054 |
CH3CH2CHO |
Propanal |
rCO |
1.210 |
1.264 |
0.054 |
C3H4N2 |
1H-Pyrazole |
rNH |
1.002 |
1.056 |
0.054 |
CH3CH2CHO |
Propanal |
rCO |
1.210 |
1.264 |
0.054 |
CH3CH2SH |
ethanethiol |
rSH |
1.322 |
1.376 |
0.054 |
CH3CH2SH |
ethanethiol |
rSH |
1.322 |
1.376 |
0.054 |
CH3CH2SH |
ethanethiol |
rSH |
1.322 |
1.376 |
0.054 |
CH3CH2SH |
ethanethiol |
rSH |
1.322 |
1.376 |
0.054 |
CH2CHOCHCH2 |
Vinyl ether |
rCO |
1.389 |
1.443 |
0.054 |
CH2ClCHO |
chloroacetaldehyde |
rCO |
1.206 |
1.260 |
0.054 |
CH2C(CH3)OCH3 |
1-Propene, 2-methoxy- |
rCC |
1.501 |
1.555 |
0.054 |
CH3CH2SH |
ethanethiol |
rSH |
1.322 |
1.376 |
0.054 |
CH3CH2SH |
ethanethiol |
rSH |
1.322 |
1.376 |
0.054 |
C3H3NO |
Oxazole |
rCO |
1.370 |
1.424 |
0.054 |
CH2CHCH2CH3 |
1-Butene |
rCC |
1.493 |
1.547 |
0.054 |
CH2CHCH2CH3 |
1-Butene |
rCC |
1.493 |
1.547 |
0.054 |
C5H5N |
Bicyclo[1.1.0]butane-1-carbonitrile |
rCC |
1.398 |
1.452 |
0.054 |
C4H6O2 |
2,3-Butanedione |
rCC |
1.527 |
1.581 |
0.054 |
C3H3N |
acrylonitrile |
rCN |
1.164 |
1.217 |
0.054 |
C5H9N |
Propanenitrile, 2,2-dimethyl- |
rCN |
1.159 |
1.213 |
0.054 |
N2F2 |
(Z)-Difluorodiazene |
rNF |
1.384 |
1.438 |
0.054 |
C4H5N |
(E)-2-Butenenitrile |
rCN |
1.164 |
1.218 |
0.054 |
CH2CHCH3 |
Propene |
rCC |
1.488 |
1.541 |
0.053 |
CH2CHCHO |
Acrolein |
rCC |
1.479 |
1.532 |
0.053 |
CH2CHCHO |
Acrolein |
rCC |
1.479 |
1.532 |
0.053 |
CH2CHCHO |
Acrolein |
rCC |
1.479 |
1.532 |
0.053 |
CH2CHCHO |
Acrolein |
rCC |
1.479 |
1.532 |
0.053 |
C5H9N |
Pentanenitrile |
rCN |
1.159 |
1.212 |
0.053 |
C4H6O |
Cyclobutanone |
rCO |
1.202 |
1.255 |
0.053 |
CH3CH(CH3)CN |
Propanenitrile, 2-methyl- |
rCN |
1.159 |
1.212 |
0.053 |
HCO |
Formyl radical |
rCO |
1.198 |
1.251 |
0.053 |
C4N2 |
2-Butynedinitrile |
rCC |
1.190 |
1.243 |
0.053 |
HCONHCH3 |
N-methylformamide |
rCO |
1.219 |
1.272 |
0.053 |
C3H2N2 |
Malononitrile |
rCN |
1.160 |
1.213 |
0.053 |
F2CCCF2 |
tetrafluoroallene |
rCC |
1.282 |
1.335 |
0.053 |
B4H10 |
Tetraborane(10) |
rHB |
1.221 |
1.168 |
-0.053 |
HCO |
Formyl radical |
rCO |
1.198 |
1.251 |
0.053 |
HCO |
Formyl radical |
rCO |
1.198 |
1.251 |
0.053 |
CH2CHCH3 |
Propene |
rCC |
1.488 |
1.541 |
0.053 |
C4H5N |
Pyrrole |
rCN |
1.370 |
1.423 |
0.053 |
C4H5N |
Pyrrole |
rCN |
1.370 |
1.423 |
0.053 |
HCN |
Hydrogen cyanide |
rCN |
1.156 |
1.209 |
0.053 |
C3H5Cl3 |
Propane, 1,2,3-trichloro- |
rCC |
1.524 |
1.577 |
0.053 |
CH2CHOH |
ethenol |
rCO |
1.372 |
1.425 |
0.053 |
HCN |
Hydrogen cyanide |
rCN |
1.156 |
1.209 |
0.053 |
HCN |
Hydrogen cyanide |
rCN |
1.156 |
1.209 |
0.053 |
CH3SH |
Methanethiol |
rSH |
1.329 |
1.382 |
0.053 |
C4H6 |
Methylenecyclopropane |
rCC |
1.457 |
1.509 |
0.052 |
C4H10O |
Ethoxy ethane |
rCC |
1.517 |
1.569 |
0.052 |
C5H7N |
Cyclobutanecarbonitrile |
rCC |
1.551 |
1.603 |
0.052 |
CH3CH2Cl |
Ethyl chloride |
rCC |
1.510 |
1.562 |
0.052 |
CH3COCH3 |
Acetone |
rCO |
1.214 |
1.266 |
0.052 |
CH3SCH2CH3 |
Ethane, (methylthio)- |
rCS |
1.804 |
1.856 |
0.052 |
C6H12 |
Cyclohexane |
rCC |
1.530 |
1.582 |
0.052 |
CH3COCH3 |
Acetone |
rCO |
1.214 |
1.266 |
0.052 |
C4H4N2 |
Succinonitrile |
rCN |
1.161 |
1.213 |
0.052 |
CH2CHOCHCH2 |
Vinyl ether |
rCO |
1.389 |
1.441 |
0.052 |
HCS+ |
Thioformyl cation |
rCS |
1.478 |
1.530 |
0.052 |
C3H4N2 |
1H-Pyrazole |
rCN |
1.360 |
1.412 |
0.052 |
HS- |
mercapto anion |
rSH |
1.343 |
1.395 |
0.052 |
HS- |
mercapto anion |
rSH |
1.343 |
1.395 |
0.052 |
C6F6 |
hexafluorobenzene |
rCC |
1.401 |
1.453 |
0.052 |
B4H10 |
Tetraborane(10) |
rBB |
1.856 |
1.908 |
0.052 |
C5H10 |
2-Pentene, (Z)- |
rCC |
1.490 |
1.542 |
0.052 |
HS+ |
sulfur monohydride cation |
rSH |
1.374 |
1.426 |
0.052 |
HS+ |
sulfur monohydride cation |
rSH |
1.374 |
1.426 |
0.052 |
C4H8O2 |
Ethyl acetate |
rCC |
1.515 |
1.567 |
0.052 |
HCNO |
fulminic acid |
rCN |
1.168 |
1.220 |
0.052 |
HCNO |
fulminic acid |
rCN |
1.168 |
1.220 |
0.052 |
C3H3NO |
Oxazole |
rCN |
1.395 |
1.447 |
0.051 |
C2H6O2 |
1,2-Ethanediol |
rCC |
1.530 |
1.581 |
0.051 |
Si2H6 |
disilane |
rSiSi |
2.320 |
2.269 |
-0.051 |
Si2H6 |
disilane |
rSiSi |
2.320 |
2.269 |
-0.051 |
HNC |
hydrogen isocyanide |
rCN |
1.173 |
1.224 |
0.051 |
C4H6O2 |
2,3-Butanedione |
rCC |
1.527 |
1.578 |
0.051 |
CH3CHS |
Thioacetaldehyde |
rCC |
1.506 |
1.557 |
0.051 |
CH3CHS |
Thioacetaldehyde |
rCC |
1.506 |
1.557 |
0.051 |
C5H10 |
2-Pentene, (Z)- |
rCH |
1.058 |
1.109 |
0.051 |
C2H5CN |
ethyl cyanide |
rCC |
1.526 |
1.577 |
0.051 |
CHF2Cl |
difluorochloromethane |
rCH |
1.090 |
1.141 |
0.051 |
CH2ClI |
chloroiodomethane |
rHC |
1.062 |
1.113 |
0.051 |
C3H5ClO |
Oxirane, (chloromethyl)- |
rCC |
1.475 |
1.525 |
0.050 |
C3H7NO |
dimethylformamide |
rCN |
1.453 |
1.503 |
0.050 |
C3H7NO |
dimethylformamide |
rCN |
1.453 |
1.503 |
0.050 |
C2H2+ |
acetylene cation |
rCH |
1.077 |
1.127 |
0.050 |
C2H2+ |
acetylene cation |
rCH |
1.077 |
1.127 |
0.050 |
HOSH |
hydrogen thioperoxide |
rSH |
1.342 |
1.392 |
0.050 |
C5H8 |
Cyclopentene |
rCC |
1.540 |
1.590 |
0.050 |
BH3PH3 |
borane phosphine |
rBP |
1.937 |
1.987 |
0.050 |
CH2ClCHCHCH3 |
2-Butene, 1-chloro- |
rCC |
1.496 |
1.546 |
0.050 |
C2H5Br |
Ethyl bromide |
rCC |
1.518 |
1.568 |
0.050 |
C2H5Br |
Ethyl bromide |
rCC |
1.518 |
1.568 |
0.050 |
1348 molecules.