Species |
Name |
Bond type |
Bond Length (Å) |
Experimental |
Calculated |
Difference |
C4H6 |
1-Methylcyclopropene |
rCH |
1.085 |
4.237 |
3.152 |
C4H6 |
1-Methylcyclopropene |
rCH |
1.087 |
3.452 |
2.365 |
ONNO |
NO dimer |
rNN |
2.236 |
1.250 |
-0.986 |
C2H4O3 |
trioxolane124 |
rCN |
1.303 |
2.264 |
0.961 |
C4H6 |
1-Methylcyclopropene |
rCC |
1.476 |
2.286 |
0.810 |
Na2 |
Sodium diatomic |
rNaNa |
3.079 |
2.276 |
-0.803 |
C4H6 |
1-Methylcyclopropene |
rCH |
1.087 |
1.853 |
0.766 |
S4 |
Sulfur tetramer |
rSS |
2.155 |
2.918 |
0.763 |
CH3CH2SH |
ethanethiol |
rCH |
1.095 |
1.851 |
0.756 |
CH3CH2SH |
ethanethiol |
rCH |
1.095 |
1.848 |
0.753 |
HSSSH |
trisulfane |
rHS |
1.344 |
2.085 |
0.742 |
HSSSH |
trisulfane |
rHS |
1.344 |
2.085 |
0.742 |
HSSSH |
trisulfane |
rHS |
1.344 |
2.085 |
0.741 |
HSSSH |
trisulfane |
rHS |
1.344 |
2.085 |
0.741 |
C4H6 |
1-Methylcyclopropene |
rCH |
1.098 |
1.798 |
0.700 |
C4H6 |
1-Methylcyclopropene |
rCH |
1.098 |
1.779 |
0.681 |
Mg2 |
Magnesium diatomic |
rMgMg |
3.891 |
3.284 |
-0.607 |
S4 |
Sulfur tetramer |
rSS |
2.155 |
2.631 |
0.476 |
S4 |
Sulfur tetramer |
rSS |
2.155 |
2.630 |
0.475 |
C4H6 |
1-Methylcyclopropene |
rCH |
1.070 |
1.541 |
0.471 |
CH3SO2NH2 |
methanesulfonamide |
rCN |
1.207 |
1.664 |
0.458 |
CH3CH2SH |
ethanethiol |
rCH |
1.089 |
1.544 |
0.455 |
CH3CH2SH |
ethanethiol |
rCH |
1.089 |
1.541 |
0.452 |
CH3CH2SH |
ethanethiol |
rCH |
1.092 |
1.544 |
0.452 |
CH3CH2SH |
ethanethiol |
rCH |
1.092 |
1.541 |
0.449 |
C2H4F2 |
1,2-difluoroethane |
rCH |
1.093 |
1.532 |
0.439 |
C2H4F2 |
1,2-difluoroethane |
rCH |
1.093 |
1.532 |
0.439 |
C2H4F2 |
1,2-difluoroethane |
rCH |
1.093 |
1.521 |
0.428 |
C2H4F2 |
1,2-difluoroethane |
rCH |
1.093 |
1.521 |
0.428 |
C4H10O |
Methyl propyl ether |
rCC |
1.530 |
1.105 |
-0.425 |
C4H6 |
1-Methylcyclopropene |
rCC |
1.515 |
1.098 |
-0.417 |
CH2CHCH2F |
Allyl Fluoride |
rHC |
1.130 |
1.509 |
0.379 |
CH2CHCH2F |
Allyl Fluoride |
rHC |
1.130 |
1.506 |
0.376 |
Al2 |
Aluminum diatomic |
rAlAl |
2.701 |
3.069 |
0.368 |
C4H10O |
Methyl propyl ether |
rCH |
1.099 |
1.461 |
0.362 |
C3H3NO |
Isoxazole |
rCH |
1.075 |
1.434 |
0.359 |
Ar2+ |
Argon diatomic cation |
rArAr |
2.320 |
2.667 |
0.347 |
CuH |
Copper monohydride |
rCuH |
1.463 |
1.798 |
0.335 |
CuH |
Copper monohydride |
rCuH |
1.463 |
1.798 |
0.335 |
CH3CH2SH |
ethanethiol |
rCC |
1.528 |
1.851 |
0.323 |
CH3CH2SH |
ethanethiol |
rCC |
1.528 |
1.848 |
0.320 |
AlP |
Aluminum monophosphide |
rAlP |
2.400 |
2.085 |
-0.315 |
AlP |
Aluminum monophosphide |
rAlP |
2.400 |
2.085 |
-0.315 |
AlP |
Aluminum monophosphide |
rAlP |
2.400 |
2.085 |
-0.315 |
C2H2+ |
acetylene cation |
rCH |
1.077 |
1.373 |
0.297 |
Be2 |
Beryllium diatomic |
rBeBe |
2.460 |
2.166 |
-0.294 |
CH3CH2SH |
ethanethiol |
rCS |
1.820 |
1.541 |
-0.279 |
CH3CH2SH |
ethanethiol |
rCS |
1.820 |
1.544 |
-0.276 |
S4 |
Sulfur tetramer |
rSS |
1.898 |
2.166 |
0.268 |
CuCl |
Copper monochloride |
rCuCl |
2.051 |
2.314 |
0.263 |
Al2Cl6 |
Aluminum, di-μ-chlorotetrachlorodi- |
rAlCl |
2.040 |
2.284 |
0.244 |
C4H6 |
1-Methylcyclopropene |
rCC |
1.300 |
1.540 |
0.240 |
CaO |
Calcium monoxide |
rOCa |
1.822 |
2.057 |
0.235 |
CaO |
Calcium monoxide |
rOCa |
1.822 |
2.057 |
0.235 |
Si2H2 |
disilyne |
rSiSi |
2.215 |
1.986 |
-0.229 |
CaS |
Calcium sulfide |
rSCa |
2.318 |
2.546 |
0.228 |
B2 |
Boron diatomic |
rBB |
1.590 |
1.387 |
-0.203 |
He2+ |
helium diatomic cation |
rHeHe |
1.081 |
1.276 |
0.195 |
He2+ |
helium diatomic cation |
rHeHe |
1.081 |
1.276 |
0.195 |
ClF3 |
Chlorine trifluoride |
rFCl |
1.597 |
1.790 |
0.194 |
ClF3 |
Chlorine trifluoride |
rFCl |
1.597 |
1.790 |
0.194 |
S3 |
Sulfur trimer |
rSS |
1.917 |
2.106 |
0.189 |
Si2H2 |
disilyne |
rSiH |
1.668 |
1.479 |
-0.189 |
Si2 |
Silicon diatomic |
rSiSi |
2.246 |
2.058 |
-0.188 |
GaP |
Gallium monophosphide |
rPGa |
2.450 |
2.264 |
-0.186 |
GaP |
Gallium monophosphide |
rPGa |
2.450 |
2.264 |
-0.186 |
GaP |
Gallium monophosphide |
rPGa |
2.450 |
2.264 |
-0.186 |
GaP |
Gallium monophosphide |
rPGa |
2.450 |
2.264 |
-0.186 |
CaH |
Calcium monohydride |
rCaH |
2.003 |
2.185 |
0.183 |
CaH |
Calcium monohydride |
rCaH |
2.003 |
2.185 |
0.183 |
CaCl |
calcium monochloride |
rClCa |
2.437 |
2.619 |
0.182 |
AlP |
Aluminum monophosphide |
rAlP |
2.400 |
2.219 |
-0.181 |
AlP |
Aluminum monophosphide |
rAlP |
2.400 |
2.219 |
-0.181 |
AlP |
Aluminum monophosphide |
rAlP |
2.400 |
2.219 |
-0.181 |
AlP |
Aluminum monophosphide |
rAlP |
2.400 |
2.219 |
-0.181 |
AlP |
Aluminum monophosphide |
rAlP |
2.400 |
2.219 |
-0.181 |
AlP |
Aluminum monophosphide |
rAlP |
2.400 |
2.219 |
-0.181 |
AlP |
Aluminum monophosphide |
rAlP |
2.260 |
2.085 |
-0.175 |
AlP |
Aluminum monophosphide |
rAlP |
2.260 |
2.085 |
-0.175 |
AlP |
Aluminum monophosphide |
rAlP |
2.260 |
2.085 |
-0.175 |
CHF2CHF2 |
1,1,2,2-tetrafluoroethane |
rCF |
1.359 |
1.524 |
0.165 |
CaC |
Calcium monocarbide |
rCCa |
2.302 |
2.466 |
0.164 |
ClOOCl |
Dichlorine dioxide |
rOCl |
1.704 |
1.867 |
0.163 |
Si2H2 |
disilyne |
rSiH |
1.668 |
1.509 |
-0.159 |
GaP |
Gallium monophosphide |
rPGa |
2.110 |
2.264 |
0.154 |
GaP |
Gallium monophosphide |
rPGa |
2.110 |
2.264 |
0.154 |
GaP |
Gallium monophosphide |
rPGa |
2.110 |
2.264 |
0.154 |
GaP |
Gallium monophosphide |
rPGa |
2.110 |
2.264 |
0.154 |
Ne2 |
Neon diatomic |
rNeNe |
3.100 |
3.252 |
0.152 |
CuF |
Copper monofluoride |
rCuF |
1.745 |
1.596 |
-0.149 |
Al2Cl6 |
Aluminum, di-μ-chlorotetrachlorodi- |
rAlCl |
2.240 |
2.092 |
-0.148 |
N2 |
Nitrogen diatomic |
rNN |
1.098 |
1.246 |
0.148 |
N2 |
Nitrogen diatomic |
rNN |
1.098 |
1.246 |
0.148 |
ZnCN |
Zinc monocyanide |
rCZn |
1.950 |
1.803 |
-0.146 |
CFCl |
chlorofluoromethylene |
rCCl |
1.714 |
1.851 |
0.137 |
ZnS |
Zinc sulfide |
rSZn |
2.046 |
1.911 |
-0.135 |
AlP |
Aluminum monophosphide |
rAlP |
2.220 |
2.085 |
-0.135 |
AlP |
Aluminum monophosphide |
rAlP |
2.220 |
2.085 |
-0.135 |
AlP |
Aluminum monophosphide |
rAlP |
2.220 |
2.085 |
-0.135 |
LiK |
Lithium Potassium |
rLiK |
3.270 |
3.399 |
0.129 |
C2H5NO3 |
Nitric acid, ethyl ester |
rNO |
1.407 |
1.533 |
0.126 |
CO |
Carbon monoxide |
rCO |
1.128 |
1.253 |
0.125 |
Ar2 |
Argon diatomic |
rArAr |
3.758 |
3.637 |
-0.121 |
ClF3 |
Chlorine trifluoride |
rFCl |
1.597 |
1.717 |
0.120 |
ClF3 |
Chlorine trifluoride |
rFCl |
1.597 |
1.717 |
0.120 |
O2 |
Oxygen diatomic |
rOO |
1.208 |
1.327 |
0.119 |
K2 |
Potassium diatomic |
rKK |
3.905 |
4.022 |
0.117 |
HNO3 |
Nitric acid |
rNO |
1.406 |
1.521 |
0.115 |
CH3OCl |
methyl hypochlorite |
rOCl |
1.674 |
1.788 |
0.114 |
NCl3 |
nitrogen trichloride |
rNCl |
1.754 |
1.868 |
0.114 |
NCl3 |
nitrogen trichloride |
rNCl |
1.754 |
1.868 |
0.114 |
O2 |
Oxygen diatomic |
rOO |
1.208 |
1.321 |
0.113 |
O2 |
Oxygen diatomic |
rOO |
1.208 |
1.321 |
0.113 |
ClOF3 |
Chlorine trifluoride oxide |
rFCl |
1.603 |
1.716 |
0.113 |
Si2H2 |
disilyne |
rSiSi |
2.215 |
2.102 |
-0.113 |
NF3 |
Nitrogen trifluoride |
rNF |
1.365 |
1.477 |
0.112 |
O3 |
Ozone |
rOO |
1.278 |
1.390 |
0.112 |
O2+ |
diatomic oxygen cation |
rOO |
1.116 |
1.225 |
0.109 |
O2+ |
diatomic oxygen cation |
rOO |
1.116 |
1.225 |
0.109 |
OH- |
hydroxide anion |
rOH |
0.964 |
1.071 |
0.107 |
OH- |
hydroxide anion |
rOH |
0.964 |
1.071 |
0.107 |
ONNO |
NO dimer |
rNO |
1.161 |
1.268 |
0.107 |
NO- |
nitric oxide anion |
rNO |
1.258 |
1.364 |
0.106 |
C2H2N2O |
Furazan |
rNO |
1.373 |
1.477 |
0.104 |
NO- |
nitric oxide anion |
rNO |
1.258 |
1.362 |
0.104 |
NO- |
nitric oxide anion |
rNO |
1.258 |
1.362 |
0.104 |
CaBr |
Calcium monobromide |
rCaBr |
2.594 |
2.696 |
0.102 |
HO2 |
Hydroperoxy radical |
rOO |
1.331 |
1.433 |
0.102 |
F2+ |
flourine diatomic cation |
rFF |
1.322 |
1.422 |
0.100 |
F2+ |
flourine diatomic cation |
rFF |
1.322 |
1.422 |
0.100 |
NCl |
nitrogen monochloride |
rNCl |
1.611 |
1.709 |
0.098 |
NCl |
nitrogen monochloride |
rNCl |
1.611 |
1.709 |
0.098 |
OClO |
Chlorine dioxide |
rClO |
1.470 |
1.567 |
0.097 |
Si2H2 |
disilyne |
rSiSi |
2.215 |
2.119 |
-0.096 |
HClO4 |
perchloric acid |
rOCl |
1.641 |
1.737 |
0.096 |
O2- |
oxygen diatomic anion |
rOO |
1.350 |
1.445 |
0.095 |
O2- |
oxygen diatomic anion |
rOO |
1.350 |
1.445 |
0.095 |
ClF3 |
Chlorine trifluoride |
rFCl |
1.697 |
1.790 |
0.094 |
ClF3 |
Chlorine trifluoride |
rFCl |
1.697 |
1.790 |
0.094 |
SOCl2 |
thionyl chloride |
rSCl |
2.076 |
2.170 |
0.094 |
CH3OCl |
methyl hypochlorite |
rCO |
1.389 |
1.481 |
0.092 |
C2 |
Carbon diatomic |
rCC |
1.243 |
1.335 |
0.092 |
C2 |
Carbon diatomic |
rCC |
1.243 |
1.335 |
0.092 |
H2O3 |
Hydrogen trioxide |
rOO |
1.428 |
1.520 |
0.092 |
KOH |
Potassium hydroxide |
rOH |
0.912 |
1.002 |
0.090 |
NHF2 |
difluoramine |
rNF |
1.400 |
1.489 |
0.089 |
BrF5 |
bromine pentafluoride |
rFBr |
1.689 |
1.778 |
0.089 |
CH3CHNOH |
Acetaldoxime |
rNO |
1.408 |
1.496 |
0.088 |
CF3OF |
Trifluoromethylhypofluorite |
rOF |
1.421 |
1.509 |
0.088 |
CF3OF |
Trifluoromethylhypofluorite |
rOF |
1.421 |
1.509 |
0.088 |
AlN |
Aluminum nitride |
rNAl |
1.786 |
1.700 |
-0.087 |
SiP |
Silicon monophosphide |
rSiP |
2.078 |
1.991 |
-0.086 |
NHCl2 |
dichloroamine |
rNCl |
1.760 |
1.846 |
0.086 |
C5H6 |
Propellane |
rCC |
1.596 |
1.682 |
0.086 |
BrF3 |
Bromine trifluoride |
rFBr |
1.721 |
1.807 |
0.086 |
N2 |
Nitrogen diatomic |
rNN |
1.213 |
1.127 |
-0.085 |
N2 |
Nitrogen diatomic |
rNN |
1.213 |
1.127 |
-0.085 |
N2 |
Nitrogen diatomic |
rNN |
1.213 |
1.127 |
-0.085 |
N2 |
Nitrogen diatomic |
rNN |
1.213 |
1.127 |
-0.085 |
NaF |
sodium fluoride |
rNaF |
1.926 |
1.841 |
-0.085 |
FO |
Oxygen monofluoride |
rFO |
1.354 |
1.439 |
0.085 |
CHF2Cl |
difluorochloromethane |
rCCl |
1.747 |
1.830 |
0.083 |
C2H4O |
Ethylene oxide |
rCO |
1.425 |
1.509 |
0.083 |
CH2O2 |
Dioxirane |
rCO |
1.388 |
1.470 |
0.083 |
NF |
nitrogen fluoride |
rNF |
1.317 |
1.399 |
0.082 |
HOCl |
hypochlorous acid |
rClO |
1.697 |
1.779 |
0.081 |
SF5Cl |
sulfur chloropentafluoride |
rSCl |
2.030 |
2.111 |
0.081 |
NH2OH |
hydroxylamine |
rNO |
1.453 |
1.534 |
0.081 |
CH2NOH |
formaldoxime |
rNO |
1.408 |
1.489 |
0.081 |
NH2OH |
hydroxylamine |
rNO |
1.453 |
1.534 |
0.081 |
NBr |
nitrogen monobromide |
rNBr |
1.765 |
1.846 |
0.081 |
Li2 |
Lithium diatomic |
rLiLi |
2.673 |
2.753 |
0.080 |
CaF |
Calcium monofluoride |
rFCa |
1.967 |
2.047 |
0.080 |
KH |
Potassium hydride |
rKH |
2.243 |
2.322 |
0.080 |
KH |
Potassium hydride |
rKH |
2.243 |
2.322 |
0.080 |
HClO4 |
perchloric acid |
rOCl |
1.404 |
1.484 |
0.080 |
C4H8O2 |
Ethyl acetate |
rCO |
1.448 |
1.527 |
0.079 |
ClO |
Monochlorine monoxide |
rClO |
1.596 |
1.675 |
0.079 |
TeO |
Tellurium monoxide |
rOTe |
1.825 |
1.904 |
0.079 |
C3H8O2 |
1,3-Propanediol |
rCO |
1.410 |
1.489 |
0.079 |
ClOF3 |
Chlorine trifluoride oxide |
rOCl |
1.405 |
1.484 |
0.079 |
C2H3NO |
Nitrosoethylene |
rNO |
1.220 |
1.299 |
0.079 |
CH2N2 |
diazirine |
rCN |
1.482 |
1.560 |
0.078 |
C2H2+ |
acetylene cation |
rCC |
1.253 |
1.330 |
0.078 |
Si2H2 |
disilyne |
rSiH |
1.668 |
1.745 |
0.077 |
BrO+ |
Bromine monoxide cation |
rOBr |
1.635 |
1.711 |
0.076 |
BrO |
Bromine monoxide |
rOBr |
1.718 |
1.794 |
0.076 |
NO2 |
Nitrogen dioxide |
rNO |
1.193 |
1.269 |
0.076 |
NO2 |
Nitrogen dioxide |
rNO |
1.193 |
1.269 |
0.076 |
NO3 |
Nitrogen trioxide |
rNO |
1.238 |
1.313 |
0.076 |
NeH+ |
neon hydrogen cation |
rNeH |
0.991 |
1.067 |
0.076 |
KCl |
Potassium Chloride |
rKCl |
2.667 |
2.742 |
0.075 |
BrO |
Bromine monoxide |
rOBr |
1.718 |
1.793 |
0.075 |
CBrClF2 |
Methane, bromochlorodifluoro- |
rCCl |
1.736 |
1.811 |
0.075 |
CH2FI |
fluoroiodomethane |
rCI |
2.140 |
2.215 |
0.075 |
Cu2 |
Copper diatomic |
rCuCu |
2.220 |
2.295 |
0.075 |
ClF |
Chlorine monofluoride |
rFCl |
1.628 |
1.703 |
0.075 |
SO |
Sulfur monoxide |
rSO |
1.481 |
1.556 |
0.075 |
SO |
Sulfur monoxide |
rSO |
1.481 |
1.556 |
0.075 |
SO |
Sulfur monoxide |
rSO |
1.481 |
1.555 |
0.074 |
SO |
Sulfur monoxide |
rSO |
1.481 |
1.555 |
0.074 |
CH2ClCCCl |
1,3-dichloropropyne |
rCCl |
1.779 |
1.853 |
0.074 |
SO |
Sulfur monoxide |
rSO |
1.481 |
1.555 |
0.074 |
SO |
Sulfur monoxide |
rSO |
1.481 |
1.555 |
0.074 |
SO |
Sulfur monoxide |
rSO |
1.481 |
1.555 |
0.074 |
SO |
Sulfur monoxide |
rSO |
1.481 |
1.555 |
0.074 |
CH2O2 |
Dioxirane |
rOO |
1.516 |
1.589 |
0.073 |
HCCl |
Chloromethylene |
rCCl |
1.696 |
1.769 |
0.073 |
SeO |
Selenium monoxide |
rSeO |
1.639 |
1.712 |
0.073 |
PO- |
phosphorus monoxide anion |
rOP |
1.540 |
1.612 |
0.072 |
NH2F |
monofluoroamine |
rNF |
1.433 |
1.505 |
0.072 |
CH2FCl |
fluorochloromethane |
rCCl |
1.762 |
1.834 |
0.072 |
CaOH |
Calcium monohydroxide |
rOCa |
1.976 |
2.048 |
0.072 |
SeO |
Selenium monoxide |
rSeO |
1.639 |
1.711 |
0.072 |
SeO |
Selenium monoxide |
rSeO |
1.639 |
1.711 |
0.072 |
SOF4 |
Sulfur tetrafluoride oxide |
rFS |
1.539 |
1.611 |
0.072 |
S2N2 |
Disulfur dinitride |
rNS |
1.642 |
1.713 |
0.071 |
CF2 |
Difluoromethylene |
rCF |
1.297 |
1.369 |
0.071 |
NaBr |
Sodium Bromide |
rNaBr |
2.502 |
2.431 |
-0.071 |
H2O2 |
Hydrogen peroxide |
rOO |
1.475 |
1.545 |
0.070 |
H2O2 |
Hydrogen peroxide |
rOO |
1.475 |
1.545 |
0.070 |
H2O2 |
Hydrogen peroxide |
rOO |
1.475 |
1.545 |
0.070 |
CHFClBr |
fluorochlorobromomethane |
rCCl |
1.745 |
1.815 |
0.070 |
HN3 |
hydrogen azide |
rNH |
0.975 |
1.045 |
0.070 |
CHFClBr |
fluorochlorobromomethane |
rCCl |
1.745 |
1.815 |
0.070 |
HN3 |
hydrogen azide |
rNH |
0.975 |
1.045 |
0.070 |
GaH |
Gallium monohydride |
rGaH |
1.663 |
1.733 |
0.070 |
CF2 |
Difluoromethylene |
rCF |
1.297 |
1.367 |
0.070 |
N2O3 |
Dinitrogen trioxide |
rNO |
1.202 |
1.271 |
0.069 |
CH3NO |
nitrosomethane |
rCN |
1.482 |
1.551 |
0.069 |
GaH |
Gallium monohydride |
rGaH |
1.663 |
1.732 |
0.069 |
HF+ |
hydrogen fluoride cation |
rHF |
1.014 |
1.083 |
0.069 |
HF+ |
hydrogen fluoride cation |
rHF |
1.014 |
1.083 |
0.069 |
CH2N2 |
diazirine |
rNN |
1.228 |
1.296 |
0.068 |
ClF3 |
Chlorine trifluoride |
rFCl |
1.697 |
1.765 |
0.068 |
ClF3 |
Chlorine trifluoride |
rFCl |
1.697 |
1.765 |
0.068 |
C3H2O3 |
vinylene carbonate |
rCO |
1.364 |
1.432 |
0.068 |
FNO |
Nitrosyl fluoride |
rNO |
1.136 |
1.204 |
0.068 |
OH+ |
hydoxyl cation |
rOH |
1.029 |
1.097 |
0.068 |
SF4 |
Sulfur tetrafluoride |
rSF |
1.545 |
1.613 |
0.068 |
SF4 |
Sulfur tetrafluoride |
rSF |
1.545 |
1.613 |
0.068 |
SeF4 |
Selenium tetrafluoride |
rFSe |
1.682 |
1.750 |
0.068 |
GaCl |
Gallium monochloride |
rClGa |
2.202 |
2.269 |
0.067 |
GaCl |
Gallium monochloride |
rClGa |
2.202 |
2.269 |
0.067 |
OH+ |
hydoxyl cation |
rOH |
1.029 |
1.096 |
0.067 |
OH+ |
hydoxyl cation |
rOH |
1.029 |
1.096 |
0.067 |
CH3NO2 |
Methane, nitro- |
rNO |
1.224 |
1.291 |
0.067 |
AsF5 |
Arsenic pentafluoride |
rAsF |
1.656 |
1.723 |
0.067 |
B2 |
Boron diatomic |
rBB |
1.590 |
1.657 |
0.067 |
FNO2 |
Nitryl fluoride |
rNF |
1.467 |
1.533 |
0.066 |
NaLi |
lithium sodium |
rLiNa |
2.889 |
2.955 |
0.066 |
NaLi |
lithium sodium |
rLiNa |
2.889 |
2.955 |
0.066 |
CH3NO |
nitrosomethane |
rNO |
1.211 |
1.277 |
0.066 |
HNO3 |
Nitric acid |
rNO |
1.211 |
1.277 |
0.066 |
CF |
Fluoromethylidyne |
rCF |
1.276 |
1.342 |
0.066 |
ICl |
Iodine monochloride |
rClI |
2.321 |
2.386 |
0.066 |
HNO |
Nitrosyl hydride |
rNO |
1.209 |
1.274 |
0.065 |
SO2F2 |
Sulfuryl fluoride |
rFS |
1.530 |
1.595 |
0.065 |
ClNO |
Nitrosyl chloride |
rNCl |
1.975 |
2.040 |
0.065 |
Zn(CH3)2 |
dimethyl zinc |
rZnC |
1.930 |
1.865 |
-0.065 |
FNO2 |
Nitryl fluoride |
rNO |
1.180 |
1.245 |
0.065 |
SeO2 |
Selenium dioxide |
rSeO |
1.607 |
1.672 |
0.065 |
Zn(CH3)2 |
dimethyl zinc |
rZnC |
1.930 |
1.866 |
-0.064 |
N2O4 |
Dinitrogen tetroxide |
rNO |
1.190 |
1.254 |
0.064 |
SiC |
silicon monocarbide |
rCSi |
1.722 |
1.658 |
-0.064 |
SiC |
silicon monocarbide |
rCSi |
1.722 |
1.658 |
-0.064 |
HOF |
Hypofluorous acid |
rFO |
1.442 |
1.505 |
0.063 |
H2O2 |
Hydrogen peroxide |
rOH |
0.950 |
1.013 |
0.063 |
H2O2 |
Hydrogen peroxide |
rOH |
0.950 |
1.013 |
0.063 |
H2O2 |
Hydrogen peroxide |
rOH |
0.950 |
1.013 |
0.063 |
C4H8O2 |
1,3-Dioxane |
rCO |
1.393 |
1.455 |
0.062 |
CH2CHCH2F |
Allyl Fluoride |
rCF |
1.370 |
1.432 |
0.062 |
CH2CHCH2F |
Allyl Fluoride |
rCF |
1.370 |
1.432 |
0.062 |
C2H5NO3 |
Nitric acid, ethyl ester |
rCO |
1.430 |
1.492 |
0.062 |
HF |
Hydrogen fluoride |
rHF |
0.917 |
0.978 |
0.062 |
CF2Cl2 |
difluorodichloromethane |
rCCl |
1.744 |
1.806 |
0.062 |
DF |
Hydrofluoric acid-d |
rDF |
0.917 |
0.979 |
0.061 |
BeCl2 |
Beryllium chloride |
rBeCl |
1.750 |
1.811 |
0.061 |
HOCH2COOH |
Hydroxyacetic acid |
rOH |
0.956 |
1.017 |
0.061 |
NCl |
nitrogen monochloride |
rNCl |
1.611 |
1.672 |
0.061 |
NO |
Nitric oxide |
rNO |
1.154 |
1.214 |
0.060 |
C3F8 |
perfluoropropane |
rCF |
1.330 |
1.390 |
0.060 |
CH2 |
Methylene |
rCH |
1.085 |
1.145 |
0.060 |
CH2 |
Methylene |
rCH |
1.085 |
1.145 |
0.060 |
CH2 |
Methylene |
rCH |
1.085 |
1.145 |
0.060 |
CH2 |
Methylene |
rCH |
1.085 |
1.145 |
0.060 |
BrNO |
Nitrosyl bromide |
rNO |
1.146 |
1.206 |
0.060 |
N2O3 |
Dinitrogen trioxide |
rNO |
1.142 |
1.202 |
0.060 |
SbCl3 |
Antimony Trichloride |
rSbCl |
2.333 |
2.393 |
0.060 |
CH3OC2H5 |
Ethane, methoxy- |
rCO |
1.407 |
1.467 |
0.060 |
CaOH |
Calcium monohydroxide |
rOH |
0.930 |
0.990 |
0.060 |
LiS |
Lithium monosulfide |
rLiS |
2.150 |
2.209 |
0.060 |
HOF |
Hypofluorous acid |
rOH |
0.960 |
1.019 |
0.059 |
SSO |
Disulfur monoxide |
rSO |
1.456 |
1.516 |
0.059 |
OH |
Hydroxyl radical |
rOH |
0.970 |
1.029 |
0.059 |
CHOOCHO |
diformyl ether |
rCO |
1.364 |
1.423 |
0.059 |
C2H5NO3 |
Nitric acid, ethyl ester |
rNO |
1.215 |
1.274 |
0.059 |
DO |
Hydroxyl-d |
rDO |
0.970 |
1.029 |
0.059 |
HClO4 |
perchloric acid |
rOCl |
1.414 |
1.473 |
0.059 |
CH2BrF |
Methane, bromofluoro- |
rCBr |
1.915 |
1.974 |
0.059 |
SO3 |
Sulfur trioxide |
rSO |
1.418 |
1.476 |
0.059 |
NSe |
Nitrogen monoselenide |
rNSe |
1.652 |
1.710 |
0.059 |
FCO |
Carbonyl fluoride |
rCF |
1.326 |
1.384 |
0.058 |
SFCl |
Sulfur chloride fluoride |
rSCl |
1.994 |
2.052 |
0.058 |
HOI |
Hypoiodous acid |
rOI |
1.994 |
2.052 |
0.058 |
C4H2O3 |
Maleic Anhydride |
rCO |
1.386 |
1.444 |
0.058 |
Cl2 |
Chlorine diatomic |
rClCl |
1.988 |
2.046 |
0.058 |
PF+ |
phosphorus monofluoride cation |
rFP |
1.500 |
1.558 |
0.058 |
LiCl |
lithium chloride |
rLiCl |
2.021 |
2.078 |
0.057 |
C2H4O4 |
Formic acid dimer |
rCO |
1.217 |
1.274 |
0.057 |
HCO |
Formyl radical |
rCH |
1.080 |
1.137 |
0.057 |
HOBr |
Hypobromous acid |
rBrO |
1.834 |
1.891 |
0.057 |
HOBr |
Hypobromous acid |
rBrO |
1.834 |
1.891 |
0.057 |
SO2 |
Sulfur dioxide |
rSO |
1.432 |
1.489 |
0.057 |
HNO3 |
Nitric acid |
rNO |
1.199 |
1.256 |
0.057 |
SF2 |
sulfur difluoride |
rSF |
1.587 |
1.644 |
0.057 |
SF2 |
sulfur difluoride |
rSF |
1.587 |
1.644 |
0.057 |
CH2ClI |
chloroiodomethane |
rCI |
2.137 |
2.193 |
0.056 |
CH2CHCH2F |
Allyl Fluoride |
rCF |
1.370 |
1.426 |
0.056 |
CH2CHCH2F |
Allyl Fluoride |
rCF |
1.370 |
1.426 |
0.056 |
ClNO |
Nitrosyl chloride |
rNO |
1.139 |
1.195 |
0.056 |
HOSH |
hydrogen thioperoxide |
rSO |
1.662 |
1.718 |
0.056 |
SO |
Sulfur monoxide |
rOS |
1.500 |
1.556 |
0.056 |
SO |
Sulfur monoxide |
rOS |
1.500 |
1.556 |
0.056 |
HCF |
Fluoromethylene |
rCF |
1.305 |
1.361 |
0.056 |
CH3CHClCH3 |
Propane, 2-chloro- |
rCCl |
1.798 |
1.854 |
0.056 |
GeCl |
Germanium monochloride |
rClGe |
2.164 |
2.219 |
0.056 |
H2O3 |
Hydrogen trioxide |
rOH |
0.963 |
1.019 |
0.056 |
HCF |
Fluoromethylene |
rCF |
1.305 |
1.361 |
0.056 |
N2O4 |
Dinitrogen tetroxide |
rNN |
1.782 |
1.838 |
0.056 |
CH3CHClCH3 |
Propane, 2-chloro- |
rCCl |
1.798 |
1.854 |
0.056 |
SO |
Sulfur monoxide |
rOS |
1.500 |
1.555 |
0.055 |
SO |
Sulfur monoxide |
rOS |
1.500 |
1.555 |
0.055 |
CH2ClCHCHCH3 |
2-Butene, 1-chloro- |
rCCl |
1.807 |
1.862 |
0.055 |
SO |
Sulfur monoxide |
rOS |
1.500 |
1.555 |
0.055 |
SO |
Sulfur monoxide |
rOS |
1.500 |
1.555 |
0.055 |
HOBr |
Hypobromous acid |
rOH |
0.961 |
1.016 |
0.055 |
HOBr |
Hypobromous acid |
rOH |
0.961 |
1.016 |
0.055 |
GeCl |
Germanium monochloride |
rClGe |
2.164 |
2.219 |
0.055 |
B4H10 |
Tetraborane(10) |
rHB |
1.484 |
1.429 |
-0.055 |
CH3SOCH3 |
Dimethyl sulfoxide |
rCS |
1.799 |
1.854 |
0.055 |
SO |
Sulfur monoxide |
rOS |
1.500 |
1.555 |
0.055 |
SO |
Sulfur monoxide |
rOS |
1.500 |
1.555 |
0.055 |
ClOF3 |
Chlorine trifluoride oxide |
rFCl |
1.713 |
1.768 |
0.055 |
F2SO |
Thionyl Fluoride |
rOS |
1.413 |
1.467 |
0.055 |
N2O3 |
Dinitrogen trioxide |
rNN |
1.864 |
1.918 |
0.054 |
HNO3 |
Nitric acid |
rOH |
0.964 |
1.018 |
0.054 |
F2SO |
Thionyl Fluoride |
rFS |
1.585 |
1.640 |
0.054 |
C3O2 |
Carbon suboxide |
rCO |
1.146 |
1.200 |
0.054 |
BF |
Boron monofluoride |
rBF |
1.267 |
1.320 |
0.054 |
F2 |
Fluorine diatomic |
rFF |
1.412 |
1.465 |
0.053 |
SO+ |
sulfur monoxide cation |
rOS |
1.424 |
1.477 |
0.053 |
SO+ |
sulfur monoxide cation |
rOS |
1.424 |
1.477 |
0.053 |
BrF |
Bromine monofluoride |
rFBr |
1.759 |
1.812 |
0.053 |
BrF |
Bromine monofluoride |
rFBr |
1.759 |
1.812 |
0.053 |
HOSH |
hydrogen thioperoxide |
rOH |
0.961 |
1.014 |
0.053 |
CH3I |
methyl iodide |
rCI |
2.136 |
2.189 |
0.053 |
CH3I |
methyl iodide |
rCI |
2.136 |
2.189 |
0.053 |
HO2 |
Hydroperoxy radical |
rOH |
0.971 |
1.024 |
0.053 |
NH |
Imidogen |
rNH |
1.034 |
1.087 |
0.053 |
CH2NOH |
formaldoxime |
rOH |
0.956 |
1.009 |
0.053 |
H2O+ |
water cation |
rOH |
0.999 |
1.052 |
0.053 |
H2O+ |
water cation |
rOH |
0.999 |
1.052 |
0.053 |
C4H8O2 |
Ethyl acetate |
rCO |
1.345 |
1.398 |
0.053 |
HCNO |
fulminic acid |
rNO |
1.199 |
1.252 |
0.053 |
N2O |
Nitrous oxide |
rNO |
1.184 |
1.237 |
0.052 |
N2O |
Nitrous oxide |
rNO |
1.184 |
1.237 |
0.052 |
HCNO |
fulminic acid |
rNO |
1.199 |
1.251 |
0.052 |
HCNO |
fulminic acid |
rNO |
1.199 |
1.251 |
0.052 |
SF |
Monosulfur monofluoride |
rSF |
1.599 |
1.652 |
0.052 |
HCNO |
fulminic acid |
rNO |
1.199 |
1.251 |
0.052 |
GeO |
Germanium monoxide |
rOGe |
1.625 |
1.677 |
0.052 |
OPCl |
Phosphorus oxychloride |
rPCl |
2.059 |
2.111 |
0.052 |
GeO |
Germanium monoxide |
rOGe |
1.625 |
1.677 |
0.052 |
C4H6O2 |
2,3-Butanedione |
rCC |
1.507 |
1.559 |
0.052 |
PO |
Phosphorus monoxide |
rPO |
1.476 |
1.528 |
0.052 |
PO |
Phosphorus monoxide |
rPO |
1.476 |
1.528 |
0.052 |
CH2BrCl |
Methane, bromochloro- |
rCCl |
1.755 |
1.807 |
0.052 |
GeH3F |
monofluorogermane |
rGeH |
1.515 |
1.566 |
0.052 |
NaK |
Sodium Potassium |
rNaK |
3.589 |
3.537 |
-0.052 |
GeH |
germylidene |
rGeH |
1.588 |
1.640 |
0.052 |
GeF4 |
Germanium tetrafluoride |
rFGe |
1.670 |
1.722 |
0.052 |
GeF4 |
Germanium tetrafluoride |
rFGe |
1.670 |
1.721 |
0.051 |
CH3OH |
Methyl alcohol |
rOH |
0.956 |
1.007 |
0.051 |
Cl2+ |
chlorine diatomic cation |
rClCl |
1.892 |
1.943 |
0.051 |
Cl2+ |
chlorine diatomic cation |
rClCl |
1.892 |
1.943 |
0.051 |
BC |
boron monocarbide |
rBC |
1.491 |
1.440 |
-0.051 |
CF2O |
Carbonic difluoride |
rCF |
1.312 |
1.363 |
0.051 |
CH3OH |
Methyl alcohol |
rOH |
0.956 |
1.007 |
0.051 |
GeH |
germylidene |
rGeH |
1.588 |
1.639 |
0.051 |
CH3CHNOH |
Acetaldoxime |
rOH |
0.956 |
1.007 |
0.051 |
SbH3 |
Stibine |
rSbH |
1.700 |
1.751 |
0.051 |
CHF3 |
Methane, trifluoro- |
rCF |
1.328 |
1.379 |
0.051 |
NH |
Imidogen |
rNH |
1.036 |
1.087 |
0.051 |
FSSF |
Difluorodisulfane |
rFS |
1.635 |
1.685 |
0.050 |
FSN |
Thiazyl fluoride |
rFS |
1.643 |
1.693 |
0.050 |
IF |
Iodine monofluoride |
rFI |
1.910 |
1.960 |
0.050 |
CF3CN |
Acetonitrile, trifluoro- |
rCF |
1.328 |
1.378 |
0.050 |
CF3OF |
Trifluoromethylhypofluorite |
rCF |
1.319 |
1.369 |
0.050 |
CF3OF |
Trifluoromethylhypofluorite |
rCF |
1.319 |
1.369 |
0.050 |
CF3COOH |
trifluoroacetic acid |
rOH |
0.960 |
1.010 |
0.050 |
H2O |
Water |
rOH |
0.958 |
1.008 |
0.050 |
HFCO |
formyl fluoride |
rCF |
1.338 |
1.388 |
0.050 |
403 molecules.