Species |
Name |
Bond type |
Bond Length (Å) |
Experimental |
Calculated |
Difference |
Mg2 |
Magnesium diatomic |
rMgMg |
3.891 |
2.643 |
-1.247 |
Mg2 |
Magnesium diatomic |
rMgMg |
3.891 |
2.643 |
-1.247 |
NaK |
Sodium Potassium |
rNaK |
3.589 |
2.799 |
-0.790 |
CH3SO2NH2 |
methanesulfonamide |
rCN |
1.207 |
1.988 |
0.781 |
HSSSH |
trisulfane |
rHS |
1.344 |
2.096 |
0.753 |
HSSSH |
trisulfane |
rHS |
1.344 |
2.096 |
0.753 |
HSSSH |
trisulfane |
rHS |
1.344 |
2.096 |
0.752 |
HSSSH |
trisulfane |
rHS |
1.344 |
2.096 |
0.752 |
CH3CH2SH |
ethanethiol |
rCH |
1.095 |
1.814 |
0.719 |
Na2 |
Sodium diatomic |
rNaNa |
3.079 |
2.374 |
-0.705 |
GaP |
Gallium monophosphide |
rPGa |
2.450 |
1.749 |
-0.701 |
GaP |
Gallium monophosphide |
rPGa |
2.450 |
1.749 |
-0.701 |
GaP |
Gallium monophosphide |
rPGa |
2.450 |
1.749 |
-0.701 |
GaP |
Gallium monophosphide |
rPGa |
2.450 |
1.749 |
-0.701 |
GaP |
Gallium monophosphide |
rPGa |
2.450 |
1.846 |
-0.604 |
GaP |
Gallium monophosphide |
rPGa |
2.450 |
1.846 |
-0.604 |
GaP |
Gallium monophosphide |
rPGa |
2.450 |
1.846 |
-0.604 |
GaP |
Gallium monophosphide |
rPGa |
2.450 |
1.846 |
-0.604 |
ZnCN |
Zinc monocyanide |
rCZn |
1.950 |
1.403 |
-0.546 |
GaAs |
Gallium arsenide |
rGaAs |
2.530 |
2.014 |
-0.516 |
GaAs |
Gallium arsenide |
rGaAs |
2.530 |
2.019 |
-0.511 |
GaP |
Gallium monophosphide |
rPGa |
2.250 |
1.749 |
-0.501 |
GaP |
Gallium monophosphide |
rPGa |
2.250 |
1.749 |
-0.501 |
GaP |
Gallium monophosphide |
rPGa |
2.250 |
1.749 |
-0.501 |
GaP |
Gallium monophosphide |
rPGa |
2.250 |
1.749 |
-0.501 |
K2 |
Potassium diatomic |
rKK |
3.905 |
3.405 |
-0.500 |
C2H4F2 |
1,2-difluoroethane |
rCH |
1.093 |
1.589 |
0.496 |
GaP |
Gallium monophosphide |
rPGa |
2.240 |
1.749 |
-0.491 |
GaP |
Gallium monophosphide |
rPGa |
2.240 |
1.749 |
-0.491 |
GaP |
Gallium monophosphide |
rPGa |
2.240 |
1.749 |
-0.491 |
GaP |
Gallium monophosphide |
rPGa |
2.240 |
1.749 |
-0.491 |
AlP |
Aluminum monophosphide |
rAlP |
2.400 |
1.918 |
-0.482 |
AlP |
Aluminum monophosphide |
rAlP |
2.400 |
1.918 |
-0.482 |
AlP |
Aluminum monophosphide |
rAlP |
2.400 |
1.918 |
-0.482 |
NaLi |
lithium sodium |
rLiNa |
2.889 |
2.425 |
-0.464 |
CH3CH2SH |
ethanethiol |
rCH |
1.089 |
1.539 |
0.450 |
CH3CH2SH |
ethanethiol |
rCH |
1.092 |
1.539 |
0.447 |
HClO4 |
perchloric acid |
rOCl |
1.641 |
2.074 |
0.433 |
C4H10O |
Methyl propyl ether |
rCC |
1.530 |
1.101 |
-0.429 |
GaP |
Gallium monophosphide |
rPGa |
2.250 |
1.846 |
-0.404 |
GaP |
Gallium monophosphide |
rPGa |
2.250 |
1.846 |
-0.404 |
GaP |
Gallium monophosphide |
rPGa |
2.250 |
1.846 |
-0.404 |
GaP |
Gallium monophosphide |
rPGa |
2.250 |
1.846 |
-0.404 |
GaP |
Gallium monophosphide |
rPGa |
2.240 |
1.846 |
-0.394 |
GaP |
Gallium monophosphide |
rPGa |
2.240 |
1.846 |
-0.394 |
GaP |
Gallium monophosphide |
rPGa |
2.240 |
1.846 |
-0.394 |
GaP |
Gallium monophosphide |
rPGa |
2.240 |
1.846 |
-0.394 |
GaO |
Gallium monoxide |
rOGa |
1.743 |
1.376 |
-0.367 |
ClFO3 |
Perchloryl fluoride |
rClO |
1.400 |
1.762 |
0.362 |
HClO4 |
perchloric acid |
rOCl |
1.404 |
1.766 |
0.362 |
ClFO3 |
Perchloryl fluoride |
rFCl |
1.598 |
1.960 |
0.362 |
GaP |
Gallium monophosphide |
rPGa |
2.110 |
1.749 |
-0.361 |
GaP |
Gallium monophosphide |
rPGa |
2.110 |
1.749 |
-0.361 |
GaP |
Gallium monophosphide |
rPGa |
2.110 |
1.749 |
-0.361 |
GaP |
Gallium monophosphide |
rPGa |
2.110 |
1.749 |
-0.361 |
GaF |
Gallium monofluoride |
rFGa |
1.774 |
1.417 |
-0.357 |
C4H10O |
Methyl propyl ether |
rCH |
1.099 |
1.451 |
0.352 |
ClOF3 |
Chlorine trifluoride oxide |
rOCl |
1.405 |
1.751 |
0.346 |
HClO4 |
perchloric acid |
rOCl |
1.414 |
1.759 |
0.345 |
AlP |
Aluminum monophosphide |
rAlP |
2.260 |
1.918 |
-0.342 |
AlP |
Aluminum monophosphide |
rAlP |
2.260 |
1.918 |
-0.342 |
AlP |
Aluminum monophosphide |
rAlP |
2.260 |
1.918 |
-0.342 |
ClOF3 |
Chlorine trifluoride oxide |
rFCl |
1.603 |
1.936 |
0.333 |
AlP |
Aluminum monophosphide |
rAlP |
2.400 |
2.067 |
-0.333 |
AlP |
Aluminum monophosphide |
rAlP |
2.400 |
2.067 |
-0.333 |
AlP |
Aluminum monophosphide |
rAlP |
2.400 |
2.067 |
-0.333 |
AlP |
Aluminum monophosphide |
rAlP |
2.400 |
2.067 |
-0.333 |
AlP |
Aluminum monophosphide |
rAlP |
2.400 |
2.067 |
-0.333 |
AlP |
Aluminum monophosphide |
rAlP |
2.400 |
2.067 |
-0.333 |
Be2 |
Beryllium diatomic |
rBeBe |
2.460 |
2.129 |
-0.331 |
Al2 |
Aluminum diatomic |
rAlAl |
2.701 |
2.382 |
-0.319 |
GaH |
Gallium monohydride |
rGaH |
1.663 |
1.349 |
-0.314 |
NH3BF3 |
Amminetrifluoroboron |
rBN |
1.673 |
1.982 |
0.309 |
OClO |
Chlorine dioxide |
rClO |
1.470 |
1.779 |
0.309 |
ClF3 |
Chlorine trifluoride |
rFCl |
1.597 |
1.903 |
0.306 |
ClF3 |
Chlorine trifluoride |
rFCl |
1.597 |
1.903 |
0.306 |
AlP |
Aluminum monophosphide |
rAlP |
2.220 |
1.918 |
-0.302 |
AlP |
Aluminum monophosphide |
rAlP |
2.220 |
1.918 |
-0.302 |
AlP |
Aluminum monophosphide |
rAlP |
2.220 |
1.918 |
-0.302 |
CaO |
Calcium monoxide |
rOCa |
1.822 |
2.110 |
0.288 |
CH3CH2SH |
ethanethiol |
rCC |
1.528 |
1.814 |
0.286 |
Na2Cl2 |
Disodium dichloride |
rNaCl |
2.584 |
2.302 |
-0.282 |
CH3CH2SH |
ethanethiol |
rCS |
1.820 |
1.539 |
-0.281 |
ClF3 |
Chlorine trifluoride |
rFCl |
1.597 |
1.877 |
0.281 |
ClF3 |
Chlorine trifluoride |
rFCl |
1.597 |
1.877 |
0.281 |
SF5Cl |
sulfur chloropentafluoride |
rSCl |
2.030 |
2.309 |
0.278 |
NaS |
Sodium sulfide |
rNaS |
2.489 |
2.212 |
-0.277 |
H2SO4 |
Sulfuric acid |
rSO |
1.574 |
1.847 |
0.273 |
ClF5 |
chlorinepentafluoride |
rFCl |
1.650 |
1.921 |
0.271 |
B2 |
Boron diatomic |
rBB |
1.590 |
1.319 |
-0.271 |
Ar2 |
Argon diatomic |
rArAr |
3.758 |
3.492 |
-0.266 |
GaP |
Gallium monophosphide |
rPGa |
2.110 |
1.846 |
-0.264 |
GaP |
Gallium monophosphide |
rPGa |
2.110 |
1.846 |
-0.264 |
GaP |
Gallium monophosphide |
rPGa |
2.110 |
1.846 |
-0.264 |
GaP |
Gallium monophosphide |
rPGa |
2.110 |
1.846 |
-0.264 |
BrF5 |
bromine pentafluoride |
rFBr |
1.689 |
1.931 |
0.242 |
LiO |
lithium oxide |
rLiO |
1.688 |
1.447 |
-0.241 |
LiO |
lithium oxide |
rLiO |
1.688 |
1.447 |
-0.241 |
SO2F2 |
Sulfuryl fluoride |
rFS |
1.530 |
1.764 |
0.234 |
CuF |
Copper monofluoride |
rCuF |
1.745 |
1.513 |
-0.232 |
NaH |
sodium hydride |
rNaH |
1.887 |
1.661 |
-0.225 |
NaH |
sodium hydride |
rNaH |
1.887 |
1.661 |
-0.225 |
SO2Cl2 |
Sulfuryl chloride |
rSCl |
2.076 |
2.295 |
0.219 |
NaBr |
Sodium Bromide |
rNaBr |
2.502 |
2.284 |
-0.218 |
C2H6O2S |
Dimethyl sulfone |
rCS |
1.777 |
1.994 |
0.217 |
SOF4 |
Sulfur tetrafluoride oxide |
rFS |
1.539 |
1.756 |
0.217 |
SO3 |
Sulfur trioxide |
rSO |
1.418 |
1.626 |
0.208 |
CaF |
Calcium monofluoride |
rFCa |
1.967 |
2.173 |
0.206 |
ClF3 |
Chlorine trifluoride |
rFCl |
1.697 |
1.903 |
0.206 |
ClF3 |
Chlorine trifluoride |
rFCl |
1.697 |
1.903 |
0.206 |
BrF3 |
Bromine trifluoride |
rFBr |
1.721 |
1.920 |
0.199 |
SF4 |
Sulfur tetrafluoride |
rSF |
1.545 |
1.743 |
0.198 |
C2H6N2O2 |
Dimethylnitroamine |
rNN |
1.382 |
1.580 |
0.198 |
LiK |
Lithium Potassium |
rLiK |
3.270 |
3.072 |
-0.198 |
GeO |
Germanium monoxide |
rOGe |
1.625 |
1.428 |
-0.197 |
ClOOCl |
Dichlorine dioxide |
rOCl |
1.704 |
1.901 |
0.196 |
Al2Cl6 |
Aluminum, di-μ-chlorotetrachlorodi- |
rAlCl |
2.040 |
2.235 |
0.195 |
SO2F2 |
Sulfuryl fluoride |
rOS |
1.405 |
1.599 |
0.194 |
SOF4 |
Sulfur tetrafluoride oxide |
rSO |
1.409 |
1.603 |
0.194 |
AlP |
Aluminum monophosphide |
rAlP |
2.260 |
2.067 |
-0.193 |
AlP |
Aluminum monophosphide |
rAlP |
2.260 |
2.067 |
-0.193 |
AlP |
Aluminum monophosphide |
rAlP |
2.260 |
2.067 |
-0.193 |
AlP |
Aluminum monophosphide |
rAlP |
2.260 |
2.067 |
-0.193 |
AlP |
Aluminum monophosphide |
rAlP |
2.260 |
2.067 |
-0.193 |
AlP |
Aluminum monophosphide |
rAlP |
2.260 |
2.067 |
-0.193 |
CuH |
Copper monohydride |
rCuH |
1.463 |
1.272 |
-0.190 |
CuH |
Copper monohydride |
rCuH |
1.463 |
1.272 |
-0.190 |
KrF2 |
Krypton difluoride |
rFKr |
1.875 |
2.065 |
0.190 |
Cl2+ |
chlorine diatomic cation |
rClCl |
1.892 |
2.081 |
0.189 |
Cl2+ |
chlorine diatomic cation |
rClCl |
1.892 |
2.081 |
0.189 |
He2+ |
helium diatomic cation |
rHeHe |
1.081 |
1.270 |
0.189 |
He2+ |
helium diatomic cation |
rHeHe |
1.081 |
1.270 |
0.189 |
CFCl |
chlorofluoromethylene |
rCCl |
1.714 |
1.903 |
0.189 |
Al2Cl6 |
Aluminum, di-μ-chlorotetrachlorodi- |
rAlCl |
2.240 |
2.053 |
-0.187 |
SO2 |
Sulfur dioxide |
rSO |
1.432 |
1.618 |
0.186 |
ScO |
Scandium monoxide |
rOSc |
1.668 |
1.854 |
0.186 |
GeH |
germylidene |
rGeH |
1.588 |
1.403 |
-0.185 |
ClOF3 |
Chlorine trifluoride oxide |
rFCl |
1.713 |
1.897 |
0.184 |
FSSF |
Difluorodisulfane |
rSS |
1.890 |
2.073 |
0.183 |
H2SO4 |
Sulfuric acid |
rSO |
1.422 |
1.603 |
0.181 |
AlN |
Aluminum nitride |
rNAl |
1.786 |
1.606 |
-0.180 |
NaO |
sodium monoxide |
rONa |
2.052 |
1.873 |
-0.178 |
NaO |
sodium monoxide |
rONa |
2.052 |
1.873 |
-0.178 |
LiCl- |
lithium chloride anion |
rLiCl |
2.180 |
2.002 |
-0.178 |
NaF |
sodium fluoride |
rNaF |
1.926 |
1.750 |
-0.176 |
NaF |
sodium fluoride |
rNaF |
1.926 |
1.750 |
-0.176 |
NaCl |
Sodium Chloride |
rNaCl |
2.361 |
2.185 |
-0.176 |
NaCl |
Sodium Chloride |
rNaCl |
2.361 |
2.185 |
-0.176 |
F2SO |
Thionyl Fluoride |
rOS |
1.413 |
1.587 |
0.175 |
C2H6O2S |
Dimethyl sulfone |
rSO |
1.431 |
1.605 |
0.174 |
SOCl2 |
thionyl chloride |
rSCl |
2.076 |
2.250 |
0.174 |
SiP |
Silicon monophosphide |
rSiP |
2.078 |
1.905 |
-0.173 |
GaCl3 |
Gallium trichloride |
rClGa |
2.180 |
2.008 |
-0.173 |
Ne2 |
Neon diatomic |
rNeNe |
3.100 |
2.927 |
-0.173 |
GeS |
Germanium monosulfide |
rSGe |
2.012 |
1.840 |
-0.172 |
SF6 |
Sulfur Hexafluoride |
rSF |
1.561 |
1.731 |
0.170 |
NCl |
nitrogen monochloride |
rNCl |
1.611 |
1.780 |
0.170 |
NCl |
nitrogen monochloride |
rNCl |
1.611 |
1.780 |
0.170 |
F2SO |
Thionyl Fluoride |
rFS |
1.585 |
1.755 |
0.170 |
Cl3PO |
Phosphoryl chloride |
rPCl |
1.989 |
2.156 |
0.167 |
MgS |
magnesium sulfide |
rMgS |
2.143 |
1.977 |
-0.165 |
SSO |
Disulfur monoxide |
rSO |
1.456 |
1.620 |
0.164 |
ClF3 |
Chlorine trifluoride |
rFCl |
1.697 |
1.856 |
0.159 |
ClF3 |
Chlorine trifluoride |
rFCl |
1.697 |
1.856 |
0.159 |
Be2 |
Beryllium diatomic |
rBeBe |
2.460 |
2.302 |
-0.158 |
NCl |
nitrogen monochloride |
rNCl |
1.611 |
1.766 |
0.155 |
SO2Cl2 |
Sulfuryl chloride |
rSO |
1.443 |
1.597 |
0.154 |
AlP |
Aluminum monophosphide |
rAlP |
2.220 |
2.067 |
-0.153 |
AlP |
Aluminum monophosphide |
rAlP |
2.220 |
2.067 |
-0.153 |
AlP |
Aluminum monophosphide |
rAlP |
2.220 |
2.067 |
-0.153 |
AlP |
Aluminum monophosphide |
rAlP |
2.220 |
2.067 |
-0.153 |
AlP |
Aluminum monophosphide |
rAlP |
2.220 |
2.067 |
-0.153 |
AlP |
Aluminum monophosphide |
rAlP |
2.220 |
2.067 |
-0.153 |
SOF4 |
Sulfur tetrafluoride oxide |
rFS |
1.596 |
1.749 |
0.153 |
HeH+ |
Helium hydride cation |
rHHe |
0.790 |
0.942 |
0.152 |
HeH+ |
Helium hydride cation |
rHHe |
0.790 |
0.942 |
0.152 |
CCl |
carbon monochloride |
rCCl |
1.649 |
1.800 |
0.151 |
ClO |
Monochlorine monoxide |
rClO |
1.596 |
1.746 |
0.150 |
N2F2 |
(Z)-Difluorodiazene |
rNN |
1.214 |
1.362 |
0.148 |
KH |
Potassium hydride |
rKH |
2.243 |
2.094 |
-0.148 |
KH |
Potassium hydride |
rKH |
2.243 |
2.094 |
-0.148 |
SF5Cl |
sulfur chloropentafluoride |
rFS |
1.576 |
1.723 |
0.147 |
ClS2 |
Sulfur chloride |
rSCl |
2.071 |
2.217 |
0.146 |
CHFClBr |
fluorochlorobromomethane |
rCCl |
1.745 |
1.889 |
0.144 |
F3PO |
Phosphoryl fluoride |
rFP |
1.524 |
1.667 |
0.143 |
ClNO2 |
Nitryl chloride |
rNCl |
1.840 |
1.983 |
0.143 |
PF5 |
Phosphorus pentafluoride |
rPF |
1.534 |
1.677 |
0.143 |
NO+ |
nitric oxide cation |
rNO |
1.066 |
1.208 |
0.142 |
NO+ |
nitric oxide cation |
rNO |
1.066 |
1.208 |
0.142 |
Ar2+ |
Argon diatomic cation |
rArAr |
2.320 |
2.461 |
0.141 |
O2+ |
diatomic oxygen cation |
rOO |
1.116 |
1.258 |
0.141 |
O2+ |
diatomic oxygen cation |
rOO |
1.116 |
1.258 |
0.141 |
BrF5 |
bromine pentafluoride |
rFBr |
1.774 |
1.915 |
0.141 |
CH3NO3 |
Methyl nitrate |
rNO |
1.402 |
1.542 |
0.140 |
GeH3CH3 |
methyl germane |
rGeH |
1.529 |
1.389 |
-0.140 |
OH- |
hydroxide anion |
rOH |
0.964 |
1.104 |
0.140 |
OH- |
hydroxide anion |
rOH |
0.964 |
1.104 |
0.140 |
CO |
Carbon monoxide |
rCO |
1.128 |
1.267 |
0.139 |
LiS |
Lithium monosulfide |
rLiS |
2.150 |
2.014 |
-0.135 |
SO+ |
sulfur monoxide cation |
rOS |
1.424 |
1.558 |
0.134 |
SO+ |
sulfur monoxide cation |
rOS |
1.424 |
1.558 |
0.134 |
FNO |
Nitrosyl fluoride |
rNO |
1.136 |
1.270 |
0.134 |
PCl5 |
Phosphorus pentachloride |
rPCl |
2.020 |
2.154 |
0.134 |
CH3OCl |
methyl hypochlorite |
rOCl |
1.674 |
1.807 |
0.133 |
PO2 |
Phosphorus dioxide |
rPO |
1.467 |
1.599 |
0.132 |
GeF+ |
Germanium monofluoride cation |
rFGe |
1.665 |
1.533 |
-0.132 |
C2H5NO3 |
Nitric acid, ethyl ester |
rNO |
1.407 |
1.539 |
0.132 |
S2N2 |
Disulfur dinitride |
rNS |
1.642 |
1.774 |
0.132 |
LiOH |
lithium hydroxide |
rLiO |
1.582 |
1.451 |
-0.131 |
LiOH |
lithium hydroxide |
rLiO |
1.582 |
1.451 |
-0.131 |
CCl2 |
dichloromethylene |
rCCl |
1.711 |
1.842 |
0.131 |
CaS |
Calcium sulfide |
rSCa |
2.318 |
2.447 |
0.129 |
LiBr |
Lithium Bromide |
rLiBr |
2.170 |
2.041 |
-0.129 |
GaF3 |
Gallium trifluoride |
rFGa |
1.725 |
1.596 |
-0.129 |
SiC |
silicon monocarbide |
rCSi |
1.722 |
1.594 |
-0.128 |
SiC |
silicon monocarbide |
rCSi |
1.722 |
1.594 |
-0.128 |
SOCl2 |
thionyl chloride |
rSO |
1.443 |
1.571 |
0.128 |
F3NO |
Nitrogen trifluoride oxide |
rNO |
1.158 |
1.285 |
0.127 |
FSN |
Thiazyl fluoride |
rNS |
1.448 |
1.575 |
0.127 |
SO |
Sulfur monoxide |
rSO |
1.481 |
1.608 |
0.127 |
SO |
Sulfur monoxide |
rSO |
1.481 |
1.608 |
0.127 |
CaCl |
calcium monochloride |
rClCa |
2.437 |
2.563 |
0.126 |
Ne2+ |
Neon diatomic cation |
rNeNe |
1.765 |
1.639 |
-0.126 |
ZnCN |
Zinc monocyanide |
rCN |
1.142 |
1.267 |
0.126 |
SeO2 |
Selenium dioxide |
rSeO |
1.607 |
1.732 |
0.125 |
GeH3CH3 |
methyl germane |
rCGe |
1.945 |
1.822 |
-0.123 |
HCCl |
Chloromethylene |
rCCl |
1.696 |
1.819 |
0.123 |
As2 |
Arsenic diatomic |
rAsAs |
2.103 |
1.980 |
-0.123 |
LiF |
lithium fluoride |
rLiF |
1.564 |
1.441 |
-0.123 |
SO |
Sulfur monoxide |
rSO |
1.481 |
1.603 |
0.122 |
SO |
Sulfur monoxide |
rSO |
1.481 |
1.603 |
0.122 |
LiF |
lithium fluoride |
rLiF |
1.564 |
1.442 |
-0.122 |
SO |
Sulfur monoxide |
rSO |
1.481 |
1.603 |
0.122 |
SO |
Sulfur monoxide |
rSO |
1.481 |
1.603 |
0.122 |
HCl+ |
hydrogen chloride cation |
rHCl |
1.315 |
1.436 |
0.122 |
HCl+ |
hydrogen chloride cation |
rHCl |
1.315 |
1.436 |
0.122 |
FSN |
Thiazyl fluoride |
rFS |
1.643 |
1.764 |
0.121 |
NCl3 |
nitrogen trichloride |
rNCl |
1.754 |
1.874 |
0.121 |
NCl3 |
nitrogen trichloride |
rNCl |
1.754 |
1.874 |
0.121 |
FOO |
Dioxygen monofluoride radical |
rFO |
1.649 |
1.769 |
0.120 |
Al2 |
Aluminum diatomic |
rAlAl |
2.701 |
2.582 |
-0.119 |
Cl2 |
Chlorine diatomic |
rClCl |
1.988 |
2.105 |
0.117 |
Cl2 |
Chlorine diatomic |
rClCl |
1.988 |
2.105 |
0.117 |
FNO2 |
Nitryl fluoride |
rNO |
1.180 |
1.297 |
0.117 |
SSO |
Disulfur monoxide |
rSS |
1.884 |
2.001 |
0.117 |
BrO |
Bromine monoxide |
rOBr |
1.718 |
1.835 |
0.117 |
NH+ |
imidogen cation |
rNH |
1.070 |
1.186 |
0.116 |
CH2FCl |
fluorochloromethane |
rCCl |
1.762 |
1.878 |
0.116 |
C2H2ClF |
1-chloro-1-fluoroethylene |
rCCl |
1.704 |
1.818 |
0.114 |
FNO3 |
Fluorine nitrate |
rNO |
1.507 |
1.621 |
0.114 |
ClSSCl |
Disulfur dichloride |
rSCl |
2.057 |
2.170 |
0.113 |
F3PO |
Phosphoryl fluoride |
rPO |
1.436 |
1.546 |
0.110 |
FNO3 |
Fluorine nitrate |
rNO |
1.184 |
1.293 |
0.109 |
BrNO |
Nitrosyl bromide |
rNO |
1.146 |
1.255 |
0.109 |
NO3 |
Nitrogen trioxide |
rNO |
1.238 |
1.347 |
0.109 |
PF3 |
Phosphorus trifluoride |
rFP |
1.561 |
1.670 |
0.109 |
CH3NO |
nitrosomethane |
rCN |
1.482 |
1.590 |
0.108 |
HNO3 |
Nitric acid |
rNO |
1.406 |
1.514 |
0.108 |
ClNO |
Nitrosyl chloride |
rNO |
1.139 |
1.247 |
0.108 |
ClF |
Chlorine monofluoride |
rFCl |
1.628 |
1.736 |
0.108 |
SO |
Sulfur monoxide |
rOS |
1.500 |
1.608 |
0.108 |
SO |
Sulfur monoxide |
rOS |
1.500 |
1.608 |
0.108 |
NO2 |
Nitrogen dioxide |
rNO |
1.193 |
1.301 |
0.108 |
NO2 |
Nitrogen dioxide |
rNO |
1.193 |
1.301 |
0.107 |
BrF3 |
Bromine trifluoride |
rFBr |
1.810 |
1.917 |
0.107 |
HN3 |
hydrogen azide |
rNH |
0.975 |
1.082 |
0.107 |
Cl2O |
Dichlorine monoxide |
rClO |
1.696 |
1.802 |
0.106 |
CH3ONO |
Methyl nitrite |
rNO |
1.398 |
1.504 |
0.106 |
N2O3 |
Dinitrogen trioxide |
rNO |
1.142 |
1.248 |
0.106 |
N2O4 |
Dinitrogen tetroxide |
rNN |
1.782 |
1.887 |
0.105 |
MgO |
magnesium oxide |
rMgO |
1.749 |
1.645 |
-0.104 |
MgH+ |
magnesium monohydride cation |
rMgH |
1.652 |
1.548 |
-0.104 |
AsF5 |
Arsenic pentafluoride |
rAsF |
1.656 |
1.759 |
0.103 |
SO |
Sulfur monoxide |
rOS |
1.500 |
1.603 |
0.103 |
SO |
Sulfur monoxide |
rOS |
1.500 |
1.603 |
0.103 |
SO |
Sulfur monoxide |
rOS |
1.500 |
1.603 |
0.103 |
SO |
Sulfur monoxide |
rOS |
1.500 |
1.603 |
0.103 |
SF2 |
sulfur difluoride |
rSF |
1.587 |
1.690 |
0.102 |
PO- |
phosphorus monoxide anion |
rOP |
1.540 |
1.642 |
0.102 |
N2O |
Nitrous oxide |
rNN |
1.128 |
1.229 |
0.101 |
FOO |
Dioxygen monofluoride radical |
rOO |
1.200 |
1.301 |
0.101 |
N2O |
Nitrous oxide |
rNN |
1.128 |
1.229 |
0.101 |
B2 |
Boron diatomic |
rBB |
1.590 |
1.489 |
-0.101 |
B2 |
Boron diatomic |
rBB |
1.590 |
1.489 |
-0.101 |
NBr |
nitrogen monobromide |
rNBr |
1.765 |
1.865 |
0.100 |
SCl |
sulfur monochloride |
rSCl |
1.975 |
2.076 |
0.100 |
SCl |
sulfur monochloride |
rSCl |
1.975 |
2.076 |
0.100 |
SCl |
sulfur monochloride |
rSCl |
1.975 |
2.076 |
0.100 |
HNO2 |
Nitrous acid |
rNO |
1.169 |
1.269 |
0.100 |
N2O4 |
Dinitrogen tetroxide |
rNO |
1.190 |
1.290 |
0.100 |
NS+ |
nitrogen sulfide cation |
rNS |
1.440 |
1.540 |
0.100 |
HOCl |
hypochlorous acid |
rClO |
1.697 |
1.797 |
0.099 |
CH3CH(CH3)ONO |
Isopropyl nitrite |
rNO |
1.170 |
1.269 |
0.099 |
MgCl2 |
Magnesium dichloride |
rMgCl |
2.180 |
2.081 |
-0.099 |
MgOH |
magnesium hydroxide |
rOH |
0.940 |
1.038 |
0.098 |
SF4 |
Sulfur tetrafluoride |
rSF |
1.646 |
1.743 |
0.097 |
CO+ |
carbon monoxide cation |
rCO |
1.115 |
1.212 |
0.097 |
CO+ |
carbon monoxide cation |
rCO |
1.115 |
1.212 |
0.097 |
CO+ |
carbon monoxide cation |
rCO |
1.115 |
1.212 |
0.097 |
SCl2 |
Sulfur dichloride |
rSCl |
2.013 |
2.110 |
0.097 |
SCl2 |
Sulfur dichloride |
rSCl |
2.013 |
2.110 |
0.097 |
GeCl |
Germanium monochloride |
rClGe |
2.164 |
2.067 |
-0.097 |
OH+ |
hydoxyl cation |
rOH |
1.029 |
1.125 |
0.097 |
OH+ |
hydoxyl cation |
rOH |
1.029 |
1.125 |
0.097 |
HO2 |
Hydroperoxy radical |
rOH |
0.971 |
1.067 |
0.096 |
PF+ |
phosphorus monofluoride cation |
rFP |
1.500 |
1.597 |
0.096 |
HO2 |
Hydroperoxy radical |
rOH |
0.971 |
1.067 |
0.096 |
PF5 |
Phosphorus pentafluoride |
rFP |
1.577 |
1.673 |
0.096 |
C2H4F2 |
1,2-difluoroethane |
rCC |
1.493 |
1.589 |
0.096 |
C2H4F2 |
1,2-difluoroethane |
rCC |
1.493 |
1.589 |
0.096 |
CF3Br |
Bromotrifluoromethane |
rCBr |
1.923 |
2.019 |
0.096 |
MgH |
magnesium monohydride |
rMgH |
1.730 |
1.634 |
-0.096 |
HNO3 |
Nitric acid |
rNO |
1.211 |
1.307 |
0.096 |
H2O2 |
Hydrogen peroxide |
rOH |
0.950 |
1.045 |
0.095 |
H2O2 |
Hydrogen peroxide |
rOH |
0.950 |
1.045 |
0.095 |
N2O3 |
Dinitrogen trioxide |
rNO |
1.202 |
1.297 |
0.095 |
HNO3 |
Nitric acid |
rNO |
1.199 |
1.294 |
0.095 |
CH3NO3 |
Methyl nitrate |
rNO |
1.205 |
1.299 |
0.094 |
LiCl |
lithium chloride |
rLiCl |
2.021 |
1.927 |
-0.094 |
LiCl |
lithium chloride |
rLiCl |
2.021 |
1.927 |
-0.094 |
C2 |
Carbon diatomic |
rCC |
1.243 |
1.336 |
0.094 |
C2 |
Carbon diatomic |
rCC |
1.243 |
1.336 |
0.094 |
BrNO |
Nitrosyl bromide |
rNBr |
2.140 |
2.046 |
-0.094 |
HN3 |
hydrogen azide |
rNN |
1.133 |
1.226 |
0.093 |
CH3CH(CH3)ONO |
Isopropyl nitrite |
rON |
1.414 |
1.506 |
0.092 |
ArH+ |
Argon hydride cation |
rArH |
1.292 |
1.384 |
0.092 |
ArH+ |
Argon hydride cation |
rArH |
1.292 |
1.384 |
0.092 |
CH3ONO |
Methyl nitrite |
rNO |
1.182 |
1.274 |
0.092 |
PCl3 |
Phosphorus trichloride |
rPCl |
2.043 |
2.135 |
0.092 |
NO |
Nitric oxide |
rNO |
1.154 |
1.246 |
0.092 |
NO |
Nitric oxide |
rNO |
1.154 |
1.246 |
0.092 |
HOF |
Hypofluorous acid |
rOH |
0.960 |
1.051 |
0.091 |
N2 |
Nitrogen diatomic |
rNN |
1.098 |
1.189 |
0.091 |
N2 |
Nitrogen diatomic |
rNN |
1.098 |
1.189 |
0.091 |
TiCl |
Titanium Monochloride |
rClTi |
2.265 |
2.173 |
-0.091 |
N2 |
Nitrogen diatomic |
rNN |
1.098 |
1.189 |
0.091 |
N2 |
Nitrogen diatomic |
rNN |
1.098 |
1.189 |
0.091 |
ScH |
Scandium monohydride |
rScH |
1.775 |
1.867 |
0.091 |
NS |
Mononitrogen monosulfide |
rNS |
1.497 |
1.588 |
0.091 |
NS |
Mononitrogen monosulfide |
rNS |
1.497 |
1.588 |
0.091 |
ClOOCl |
Dichlorine dioxide |
rOO |
1.426 |
1.335 |
-0.091 |
H2O2 |
Hydrogen peroxide |
rOH |
0.950 |
1.040 |
0.090 |
SeO |
Selenium monoxide |
rSeO |
1.639 |
1.729 |
0.090 |
Si2H6 |
disilane |
rSiSi |
2.320 |
2.230 |
-0.090 |
SiF3 |
Silicon trifluoride radical |
rFSi |
1.565 |
1.655 |
0.090 |
S2+ |
sulfur diatomic cation |
rSS |
1.825 |
1.915 |
0.090 |
NaOH |
sodium hydroxide |
rNaO |
1.950 |
1.861 |
-0.089 |
GeF2 |
Germanium difluoride |
rGeCl |
1.732 |
1.643 |
-0.089 |
C2Cl2 |
dichloroacetylene |
rCCl |
1.612 |
1.701 |
0.089 |
MgF2 |
Magnesium fluoride |
rFMg |
1.770 |
1.681 |
-0.089 |
N3 |
azide radical |
rNN |
1.181 |
1.270 |
0.089 |
N3 |
azide radical |
rNN |
1.181 |
1.270 |
0.089 |
C2H4F2 |
1,2-difluoroethane |
rCC |
1.501 |
1.589 |
0.088 |
C2H4F2 |
1,2-difluoroethane |
rCC |
1.501 |
1.589 |
0.088 |
C5H6 |
Propellane |
rCC |
1.596 |
1.683 |
0.087 |
CH3CF3 |
Ethane, 1,1,1-trifluoro- |
rCC |
1.494 |
1.581 |
0.087 |
CH3NO3 |
Methyl nitrate |
rNO |
1.208 |
1.295 |
0.087 |
NH |
Imidogen |
rNH |
1.034 |
1.121 |
0.087 |
O2 |
Oxygen diatomic |
rOO |
1.208 |
1.294 |
0.086 |
HOCO+ |
Hydrocarboxyl cation |
rCO |
1.209 |
1.294 |
0.086 |
H2COO |
Dioxymethyl radical |
rCO |
1.272 |
1.358 |
0.086 |
H2O3 |
Hydrogen trioxide |
rOH |
0.963 |
1.048 |
0.085 |
SeO |
Selenium monoxide |
rSeO |
1.639 |
1.725 |
0.085 |
C4H8O2 |
Ethyl acetate |
rCO |
1.448 |
1.533 |
0.085 |
C2H5NO3 |
Nitric acid, ethyl ester |
rNO |
1.215 |
1.300 |
0.085 |
NH |
Imidogen |
rNH |
1.034 |
1.119 |
0.085 |
NH |
Imidogen |
rNH |
1.036 |
1.121 |
0.085 |
KBr |
Potassium Bromide |
rKBr |
2.821 |
2.736 |
-0.084 |
OH |
Hydroxyl radical |
rOH |
0.970 |
1.054 |
0.084 |
DO |
Hydroxyl-d |
rDO |
0.970 |
1.054 |
0.084 |
HOBr |
Hypobromous acid |
rOH |
0.961 |
1.045 |
0.084 |
PO |
Phosphorus monoxide |
rPO |
1.476 |
1.559 |
0.083 |
PO |
Phosphorus monoxide |
rPO |
1.476 |
1.559 |
0.083 |
H2Cl+ |
dihydrogen monochloride cation |
rHCl |
1.321 |
1.404 |
0.083 |
H2Cl+ |
dihydrogen monochloride cation |
rHCl |
1.321 |
1.404 |
0.083 |
ClNO2 |
Nitryl chloride |
rNO |
1.202 |
1.285 |
0.083 |
Cl3PO |
Phosphoryl chloride |
rPO |
1.455 |
1.538 |
0.083 |
NH |
Imidogen |
rNH |
1.036 |
1.119 |
0.083 |
ClCN |
chlorocyanogen |
rCCl |
1.629 |
1.711 |
0.082 |
N2O |
Nitrous oxide |
rNO |
1.184 |
1.266 |
0.082 |
N2O |
Nitrous oxide |
rNO |
1.184 |
1.266 |
0.082 |
CH2BrCl |
Methane, bromochloro- |
rCCl |
1.755 |
1.837 |
0.082 |
C2H6N2O2 |
Dimethylnitroamine |
rNO |
1.223 |
1.305 |
0.082 |
HNO3 |
Nitric acid |
rOH |
0.964 |
1.046 |
0.082 |
AlS |
Aluminum sulfide |
rAlS |
2.029 |
1.948 |
-0.081 |
O2 |
Oxygen diatomic |
rOO |
1.208 |
1.289 |
0.081 |
O2 |
Oxygen diatomic |
rOO |
1.208 |
1.289 |
0.081 |
HF |
Hydrogen fluoride |
rHF |
0.917 |
0.998 |
0.081 |
HF |
Hydrogen fluoride |
rHF |
0.917 |
0.998 |
0.081 |
C2H5NO3 |
Nitric acid, ethyl ester |
rNO |
1.215 |
1.296 |
0.081 |
HNO2 |
Nitrous acid |
rOH |
0.959 |
1.040 |
0.081 |
DF |
Hydrofluoric acid-d |
rDF |
0.917 |
0.998 |
0.080 |
HOBr |
Hypobromous acid |
rOH |
0.961 |
1.041 |
0.080 |
TiH |
Titanium monohydride |
rHTi |
1.785 |
1.705 |
-0.080 |
S3 |
Sulfur trimer |
rSS |
1.917 |
1.997 |
0.080 |
C4N2 |
2-Butynedinitrile |
rCN |
1.140 |
1.220 |
0.080 |
BCl |
boron monochloride |
rBCl |
1.719 |
1.799 |
0.079 |
C3O2 |
Carbon suboxide |
rCO |
1.146 |
1.225 |
0.079 |
CaH |
Calcium monohydride |
rCaH |
2.003 |
2.081 |
0.079 |
CaH |
Calcium monohydride |
rCaH |
2.003 |
2.081 |
0.079 |
CH3OCl |
methyl hypochlorite |
rCO |
1.389 |
1.468 |
0.079 |
PCl |
phosphorus chloride |
rPCl |
2.018 |
2.096 |
0.078 |
C4H6O2 |
2,3-Butanedione |
rCC |
1.507 |
1.584 |
0.077 |
AsN |
Arsenic mononitride |
rNAs |
1.618 |
1.542 |
-0.077 |
NF3 |
Nitrogen trifluoride |
rNF |
1.365 |
1.442 |
0.077 |
C4H8O2 |
Ethyl acetate |
rCO |
1.345 |
1.422 |
0.077 |
C4H6O2 |
2,3-Butanedione |
rCC |
1.507 |
1.583 |
0.076 |
C4H6O2 |
2,3-Butanedione |
rCC |
1.507 |
1.583 |
0.076 |
N2H2 |
(E)-diazene |
rNN |
1.252 |
1.327 |
0.076 |
N2H2 |
(E)-diazene |
rNN |
1.252 |
1.327 |
0.076 |
ScF |
Scandium monofluoride |
rFSc |
1.788 |
1.863 |
0.076 |
HNO |
Nitrosyl hydride |
rNO |
1.209 |
1.284 |
0.075 |
O3 |
Ozone |
rOO |
1.278 |
1.353 |
0.075 |
CH2 |
Methylene |
rCH |
1.085 |
1.160 |
0.075 |
CH2 |
Methylene |
rCH |
1.085 |
1.160 |
0.075 |
CH2 |
Methylene |
rCH |
1.085 |
1.160 |
0.075 |
CH2 |
Methylene |
rCH |
1.085 |
1.160 |
0.075 |
VO |
Vanadium monoxide |
rVO |
1.589 |
1.514 |
-0.075 |
O3 |
Ozone |
rOO |
1.278 |
1.353 |
0.075 |
BrCl |
Bromine monochloride |
rClBr |
2.136 |
2.211 |
0.075 |
KF |
Potassium Fluoride |
rKF |
2.171 |
2.246 |
0.075 |
N2O3 |
Dinitrogen trioxide |
rNO |
1.217 |
1.292 |
0.075 |
H2SO4 |
Sulfuric acid |
rOH |
0.970 |
1.044 |
0.074 |
NH2OH |
hydroxylamine |
rOH |
0.962 |
1.035 |
0.073 |
NH2OH |
hydroxylamine |
rOH |
0.962 |
1.035 |
0.073 |
NO- |
nitric oxide anion |
rNO |
1.258 |
1.331 |
0.073 |
NO- |
nitric oxide anion |
rNO |
1.258 |
1.331 |
0.073 |
HCOOH |
Formic acid |
rCO |
1.343 |
1.415 |
0.072 |
NH2 |
Amino radical |
rNH |
1.024 |
1.096 |
0.072 |
H2O |
Water |
rOH |
0.958 |
1.030 |
0.072 |
H2O |
Water |
rOH |
0.958 |
1.030 |
0.072 |
HOCO+ |
Hydrocarboxyl cation |
rCO |
1.140 |
1.212 |
0.072 |
As4 |
Arsenic tetramer |
rAsAs |
2.435 |
2.363 |
-0.072 |
N2H2 |
(E)-diazene |
rNH |
1.028 |
1.100 |
0.072 |
N2H2 |
(E)-diazene |
rNH |
1.028 |
1.100 |
0.072 |
CH3NO |
nitrosomethane |
rNO |
1.211 |
1.283 |
0.071 |
CH2CHOH |
ethenol |
rOH |
0.960 |
1.031 |
0.071 |
Si2 |
Silicon diatomic |
rSiSi |
2.246 |
2.175 |
-0.071 |
HOCl |
hypochlorous acid |
rOH |
0.973 |
1.044 |
0.070 |
HOCO+ |
Hydrocarboxyl cation |
rOH |
0.977 |
1.047 |
0.070 |
HCl |
Hydrogen chloride |
rHCl |
1.275 |
1.345 |
0.070 |
GeCl2 |
Germanium dichloride |
rClGe |
2.186 |
2.116 |
-0.070 |
DCl |
Hydrochloric acid-d |
rDCl |
1.275 |
1.345 |
0.070 |
BrF |
Bromine monofluoride |
rFBr |
1.759 |
1.829 |
0.070 |
SiF4 |
Silicon tetrafluoride |
rSiF |
1.554 |
1.624 |
0.070 |
CH2Cl |
chloromethyl radical |
rCCl |
1.691 |
1.761 |
0.070 |
CH2Cl |
chloromethyl radical |
rCCl |
1.691 |
1.761 |
0.070 |
CH2Cl |
chloromethyl radical |
rCCl |
1.691 |
1.761 |
0.070 |
CH2Cl |
chloromethyl radical |
rCCl |
1.691 |
1.761 |
0.070 |
ClSSCl |
Disulfur dichloride |
rSS |
1.931 |
2.000 |
0.069 |
PCl |
phosphorus chloride |
rPCl |
2.018 |
2.086 |
0.068 |
CF2 |
Difluoromethylene |
rCF |
1.297 |
1.366 |
0.068 |
HClO4 |
perchloric acid |
rOH |
0.980 |
1.048 |
0.068 |
NH2F |
monofluoroamine |
rNH |
1.023 |
1.091 |
0.068 |
HCNO |
fulminic acid |
rNO |
1.199 |
1.267 |
0.068 |
C4H5NO |
3-Methylisoxazole |
rCN |
1.310 |
1.378 |
0.068 |
FSSF |
Difluorodisulfane |
rFS |
1.635 |
1.702 |
0.067 |
HCNO |
fulminic acid |
rNO |
1.199 |
1.266 |
0.067 |
HCNO |
fulminic acid |
rNO |
1.199 |
1.266 |
0.067 |
CO |
Carbon monoxide |
rCO |
1.128 |
1.195 |
0.067 |
HCCCl |
Chloroacetylene |
rCCl |
1.637 |
1.704 |
0.067 |
AsH |
Arsenic monohydride |
rAsH |
1.535 |
1.468 |
-0.067 |
CO |
Carbon monoxide |
rCO |
1.128 |
1.195 |
0.067 |
CH3COF |
Acetyl fluoride |
rCO |
1.181 |
1.247 |
0.066 |
AsH |
Arsenic monohydride |
rAsH |
1.535 |
1.469 |
-0.066 |
AsH |
Arsenic monohydride |
rAsH |
1.535 |
1.469 |
-0.066 |
HCOOH |
Formic acid |
rCO |
1.343 |
1.409 |
0.066 |
PCl5 |
Phosphorus pentachloride |
rPCl |
2.124 |
2.190 |
0.066 |
FCO |
Carbonyl fluoride |
rCO |
1.180 |
1.246 |
0.066 |
NH2OH |
hydroxylamine |
rNH |
1.016 |
1.081 |
0.065 |
KrH+ |
Protonated Krypton |
rHKr |
1.421 |
1.486 |
0.065 |
COBr2 |
Carbonic dibromide |
rCO |
1.172 |
1.237 |
0.065 |
C3H8O2 |
1,3-Propanediol |
rCO |
1.410 |
1.475 |
0.065 |
C4H8O2 |
1,3-Dioxane |
rCO |
1.393 |
1.458 |
0.065 |
NH2OH |
hydroxylamine |
rNH |
1.016 |
1.081 |
0.065 |
CH |
Methylidyne |
rCH |
1.120 |
1.185 |
0.065 |
HCNO |
fulminic acid |
rCH |
1.027 |
1.092 |
0.065 |
HCNO |
fulminic acid |
rCH |
1.027 |
1.092 |
0.065 |
HCO |
Formyl radical |
rCH |
1.080 |
1.145 |
0.065 |
CBr |
Carbon monobromide |
rCBr |
1.821 |
1.885 |
0.064 |
S2 |
Sulfur diatomic |
rSS |
1.889 |
1.954 |
0.064 |
HFCO |
formyl fluoride |
rCO |
1.181 |
1.245 |
0.064 |
C3F6 |
hexafluoropropene |
rCC |
1.513 |
1.577 |
0.064 |
BH3CO |
Borane carbonyl |
rCO |
1.135 |
1.199 |
0.064 |
HCOOH |
Formic acid |
rOH |
0.972 |
1.036 |
0.064 |
OCS |
Carbonyl sulfide |
rCO |
1.160 |
1.224 |
0.064 |
HF+ |
hydrogen fluoride cation |
rHF |
1.014 |
1.078 |
0.064 |
CuO |
Copper Monoxide |
rCuO |
1.724 |
1.661 |
-0.063 |
Si2 |
Silicon diatomic |
rSiSi |
2.246 |
2.183 |
-0.063 |
CH2Cl |
chloromethyl radical |
rCCl |
1.691 |
1.754 |
0.063 |
CH2Cl |
chloromethyl radical |
rCCl |
1.691 |
1.754 |
0.063 |
C4H5NO |
Isoxazole, 5-methyl- |
rCN |
1.310 |
1.373 |
0.063 |
C2N2 |
Cyanogen |
rCN |
1.154 |
1.216 |
0.062 |
C2N2 |
Cyanogen |
rCN |
1.154 |
1.216 |
0.062 |
CF2 |
Difluoromethylene |
rCF |
1.297 |
1.359 |
0.062 |
SF |
Monosulfur monofluoride |
rSF |
1.599 |
1.661 |
0.062 |
SF |
Monosulfur monofluoride |
rSF |
1.599 |
1.661 |
0.062 |
FNO |
Nitrosyl fluoride |
rNF |
1.512 |
1.450 |
-0.062 |
OCSe |
Carbonyl selenide |
rCSe |
1.709 |
1.647 |
-0.062 |
CF3 |
Trifluoromethyl radical |
rCF |
1.318 |
1.379 |
0.061 |
LiH |
Lithium Hydride |
rLiH |
1.595 |
1.534 |
-0.061 |
C4H5NO |
Isoxazole, 5-methyl- |
rCO |
1.342 |
1.403 |
0.061 |
SiHCl3 |
Trichlorosilane |
rSiCl |
2.020 |
2.081 |
0.061 |
SiCl4 |
Silane, tetrachloro- |
rSiCl |
2.019 |
2.079 |
0.060 |
HCNO |
fulminic acid |
rCN |
1.168 |
1.228 |
0.060 |
HPO |
Hydrogen phosphorus oxide |
rPO |
1.512 |
1.572 |
0.060 |
HCNO |
fulminic acid |
rCN |
1.168 |
1.228 |
0.060 |
S2 |
Sulfur diatomic |
rSS |
1.889 |
1.949 |
0.060 |
HBr+ |
hydrogen bromide cation |
rHBr |
1.448 |
1.508 |
0.060 |
HBr+ |
hydrogen bromide cation |
rHBr |
1.448 |
1.508 |
0.060 |
HCOOH |
Formic acid |
rOH |
0.972 |
1.032 |
0.060 |
OCSe |
Carbonyl selenide |
rCO |
1.159 |
1.218 |
0.059 |
CH2CO |
Ketene |
rCO |
1.162 |
1.221 |
0.059 |
CH2FCH2CH3 |
1-Fluoropropane |
rCC |
1.501 |
1.560 |
0.059 |
CH2NH |
Methanimine |
rNH |
1.023 |
1.082 |
0.059 |
B4H10 |
Tetraborane(10) |
rHB |
1.221 |
1.162 |
-0.059 |
HOBr |
Hypobromous acid |
rBrO |
1.834 |
1.892 |
0.058 |
FCN |
Cyanogen fluoride |
rCN |
1.159 |
1.217 |
0.058 |
BeS |
beryllium sulfide |
rBeS |
1.742 |
1.684 |
-0.057 |
HNCNH |
diiminomethane |
rNH |
1.007 |
1.064 |
0.057 |
AlC |
Aluminum carbide |
rCAl |
1.955 |
1.898 |
-0.057 |
CH3CCl(CH3)CH3 |
Propane, 2-chloro-2-methyl- |
rCCl |
1.803 |
1.860 |
0.057 |
HNO2 |
Nitrous acid |
rNO |
1.442 |
1.498 |
0.056 |
HNC |
hydrogen isocyanide |
rNH |
0.986 |
1.043 |
0.056 |
SiH2 |
silicon dihydride |
rSiH |
1.514 |
1.458 |
-0.056 |
HCCl |
Chloromethylene |
rCCl |
1.696 |
1.752 |
0.056 |
MgF |
Magnesium monofluoride |
rMgF |
1.750 |
1.694 |
-0.056 |
SiF2 |
Silicon difluoride |
rFSi |
1.590 |
1.646 |
0.056 |
NSe |
Nitrogen monoselenide |
rNSe |
1.652 |
1.708 |
0.056 |
PF |
phosphorus monofluoride |
rFP |
1.593 |
1.648 |
0.055 |
HNO |
Nitrosyl hydride |
rNH |
1.090 |
1.146 |
0.055 |
C3 |
carbon trimer |
rCC |
1.277 |
1.333 |
0.055 |
C3 |
carbon trimer |
rCC |
1.277 |
1.333 |
0.055 |
SiP |
Silicon monophosphide |
rSiP |
2.078 |
2.022 |
-0.055 |
C3 |
carbon trimer |
rCC |
1.277 |
1.332 |
0.055 |
SiF+ |
silicon monofluoride cation |
rFSi |
1.527 |
1.582 |
0.055 |
SiF+ |
silicon monofluoride cation |
rFSi |
1.527 |
1.582 |
0.055 |
CH3CF3 |
Ethane, 1,1,1-trifluoro- |
rCF |
1.340 |
1.395 |
0.055 |
C3 |
carbon trimer |
rCC |
1.277 |
1.332 |
0.055 |
C3 |
carbon trimer |
rCC |
1.277 |
1.332 |
0.055 |
C6H4Cl2 |
1,4-dichlorobenzene |
rCCl |
1.729 |
1.784 |
0.055 |
HCCCN |
Cyanoacetylene |
rCN |
1.161 |
1.215 |
0.055 |
CF3Br |
Bromotrifluoromethane |
rCF |
1.327 |
1.381 |
0.054 |
AlH2 |
aluminum dihydride |
rAlH |
1.590 |
1.536 |
-0.054 |
PF |
phosphorus monofluoride |
rFP |
1.593 |
1.647 |
0.054 |
Li2O |
dilithium oxide |
rLiO |
1.606 |
1.552 |
-0.054 |
Li2O |
dilithium oxide |
rLiO |
1.606 |
1.552 |
-0.054 |
CH2 |
Methylene |
rCH |
1.107 |
1.160 |
0.053 |
CH2 |
Methylene |
rCH |
1.107 |
1.160 |
0.053 |
CH2 |
Methylene |
rCH |
1.107 |
1.160 |
0.053 |
CH2 |
Methylene |
rCH |
1.107 |
1.160 |
0.053 |
C4H5NO |
3-Methylisoxazole |
rCO |
1.342 |
1.395 |
0.053 |
C3H5Cl |
1-chloro-1-propene(E) |
rCCl |
1.728 |
1.781 |
0.053 |
AsF5 |
Arsenic pentafluoride |
rAsF |
1.711 |
1.764 |
0.053 |
C4F6 |
perfluorobutadiene |
rCC |
1.336 |
1.389 |
0.053 |
F3NO |
Nitrogen trifluoride oxide |
rNF |
1.431 |
1.484 |
0.053 |
NH2CN |
cyanamide |
rCN |
1.159 |
1.212 |
0.053 |
BH |
Boron monohydride |
rBH |
1.232 |
1.180 |
-0.052 |
C3H4O |
Methylketene |
rCO |
1.171 |
1.223 |
0.052 |
FCN |
Cyanogen fluoride |
rCF |
1.262 |
1.314 |
0.052 |
BrCN |
Cyanogen bromide |
rCN |
1.158 |
1.210 |
0.052 |
C4F6 |
perfluorobutadiene |
rCC |
1.336 |
1.388 |
0.052 |
SiCl |
Clorosilylidyne |
rSiCl |
2.061 |
2.113 |
0.052 |
CH3NC |
methyl isocyanide |
rCN |
1.166 |
1.218 |
0.052 |
SiH2Cl2 |
dichlorosilane |
rSiCl |
2.033 |
2.084 |
0.051 |
HCCl |
Chloromethylene |
rCH |
1.119 |
1.170 |
0.051 |
SiH2Cl2 |
dichlorosilane |
rSiCl |
2.033 |
2.084 |
0.051 |
C3H7N |
Cyclopropylamine |
rNH |
1.011 |
1.062 |
0.051 |
CH3CH(CH3)ONO |
Isopropyl nitrite |
rCO |
1.432 |
1.483 |
0.051 |
NH3 |
Ammonia |
rNH |
1.012 |
1.064 |
0.051 |
ClCN |
chlorocyanogen |
rCN |
1.161 |
1.212 |
0.051 |
NH3 |
Ammonia |
rNH |
1.012 |
1.063 |
0.051 |
HCNO |
fulminic acid |
rCH |
1.027 |
1.078 |
0.051 |
CH3OC2H5 |
Ethane, methoxy- |
rCO |
1.407 |
1.458 |
0.051 |
C3H4O |
Cyclopropanone |
rCO |
1.191 |
1.242 |
0.051 |
CSe2 |
Carbon diselenide |
rCSe |
1.692 |
1.642 |
-0.051 |
B2Cl4 |
Diboron tetrachloride |
rBB |
1.702 |
1.651 |
-0.051 |
B4H10 |
Tetraborane(10) |
rHB |
1.484 |
1.434 |
-0.050 |
B2Cl4 |
Diboron tetrachloride |
rBB |
1.702 |
1.652 |
-0.050 |
C3F6 |
hexafluoropropene |
rCC |
1.329 |
1.379 |
0.050 |
580 molecules.