Species |
Name |
Bond type |
Bond Length (Å) |
Experimental |
Calculated |
Difference |
C4H6 |
1-Methylcyclopropene |
rCH |
1.085 |
4.215 |
3.130 |
C4H6 |
1-Methylcyclopropene |
rCH |
1.087 |
3.467 |
2.380 |
Be2 |
Beryllium diatomic |
rBeBe |
2.460 |
4.211 |
1.751 |
C2H4O3 |
trioxolane124 |
rCN |
1.303 |
2.279 |
0.976 |
C4H6 |
1-Methylcyclopropene |
rCC |
1.476 |
2.285 |
0.809 |
C4H6 |
1-Methylcyclopropene |
rCH |
1.087 |
1.837 |
0.750 |
CH3CH2SH |
ethanethiol |
rCH |
1.095 |
1.839 |
0.744 |
CH3CH2SH |
ethanethiol |
rCH |
1.095 |
1.837 |
0.742 |
S4 |
Sulfur tetramer |
rSS |
2.155 |
2.871 |
0.716 |
HSSSH |
trisulfane |
rHS |
1.344 |
2.056 |
0.713 |
HSSSH |
trisulfane |
rHS |
1.344 |
2.056 |
0.713 |
HSSSH |
trisulfane |
rHS |
1.344 |
2.055 |
0.712 |
HSSSH |
trisulfane |
rHS |
1.344 |
2.055 |
0.712 |
C4H6 |
1-Methylcyclopropene |
rCH |
1.098 |
1.782 |
0.684 |
C4H6 |
1-Methylcyclopropene |
rCH |
1.098 |
1.772 |
0.674 |
S4 |
Sulfur tetramer |
rSS |
2.155 |
2.807 |
0.652 |
S4 |
Sulfur tetramer |
rSS |
2.155 |
2.806 |
0.651 |
C4H6 |
1-Methylcyclopropene |
rCH |
1.070 |
1.549 |
0.479 |
CH3CH2SH |
ethanethiol |
rCH |
1.089 |
1.548 |
0.459 |
CH3CH2SH |
ethanethiol |
rCH |
1.089 |
1.545 |
0.456 |
CH3CH2SH |
ethanethiol |
rCH |
1.092 |
1.548 |
0.456 |
CH3CH2SH |
ethanethiol |
rCH |
1.092 |
1.545 |
0.453 |
CH3SO2NH2 |
methanesulfonamide |
rCN |
1.207 |
1.649 |
0.443 |
C2H4F2 |
1,2-difluoroethane |
rCH |
1.093 |
1.528 |
0.435 |
C2H4F2 |
1,2-difluoroethane |
rCH |
1.093 |
1.528 |
0.435 |
C4H10O |
Methyl propyl ether |
rCC |
1.530 |
1.096 |
-0.434 |
C4H6 |
1-Methylcyclopropene |
rCC |
1.515 |
1.086 |
-0.429 |
C2H4F2 |
1,2-difluoroethane |
rCH |
1.093 |
1.519 |
0.426 |
C2H4F2 |
1,2-difluoroethane |
rCH |
1.093 |
1.519 |
0.426 |
Be2 |
Beryllium diatomic |
rBeBe |
2.460 |
2.042 |
-0.418 |
GaP |
Gallium monophosphide |
rPGa |
2.450 |
2.053 |
-0.397 |
GaP |
Gallium monophosphide |
rPGa |
2.450 |
2.053 |
-0.397 |
GaP |
Gallium monophosphide |
rPGa |
2.450 |
2.053 |
-0.397 |
GaP |
Gallium monophosphide |
rPGa |
2.450 |
2.053 |
-0.397 |
CH2CHCH2F |
Allyl Fluoride |
rHC |
1.130 |
1.514 |
0.384 |
CH2CHCH2F |
Allyl Fluoride |
rHC |
1.130 |
1.511 |
0.381 |
C4H10O |
Methyl propyl ether |
rCH |
1.099 |
1.467 |
0.368 |
C3H3NO |
Isoxazole |
rCH |
1.075 |
1.435 |
0.360 |
AlP |
Aluminum monophosphide |
rAlP |
2.400 |
2.043 |
-0.357 |
AlP |
Aluminum monophosphide |
rAlP |
2.400 |
2.043 |
-0.357 |
AlP |
Aluminum monophosphide |
rAlP |
2.400 |
2.043 |
-0.357 |
CH3CH2SH |
ethanethiol |
rCC |
1.528 |
1.839 |
0.311 |
CH3CH2SH |
ethanethiol |
rCC |
1.528 |
1.837 |
0.309 |
C2H2+ |
acetylene cation |
rCH |
1.077 |
1.361 |
0.285 |
O2 |
Oxygen diatomic |
rOO |
1.208 |
1.487 |
0.279 |
CH3CH2SH |
ethanethiol |
rCS |
1.820 |
1.545 |
-0.275 |
CH3CH2SH |
ethanethiol |
rCS |
1.820 |
1.548 |
-0.272 |
F2+ |
flourine diatomic cation |
rFF |
1.322 |
1.592 |
0.270 |
F2+ |
flourine diatomic cation |
rFF |
1.322 |
1.592 |
0.270 |
CaS |
Calcium sulfide |
rSCa |
2.318 |
2.578 |
0.260 |
Ne2 |
Neon diatomic |
rNeNe |
3.100 |
2.841 |
-0.259 |
Al2 |
Aluminum diatomic |
rAlAl |
2.701 |
2.443 |
-0.258 |
Al2 |
Aluminum diatomic |
rAlAl |
2.701 |
2.443 |
-0.258 |
C4H6 |
1-Methylcyclopropene |
rCC |
1.300 |
1.553 |
0.253 |
K2 |
Potassium diatomic |
rKK |
3.905 |
4.156 |
0.251 |
NO3 |
Nitrogen trioxide |
rNO |
1.238 |
1.489 |
0.251 |
Al2 |
Aluminum diatomic |
rAlAl |
2.701 |
2.949 |
0.248 |
Si2H2 |
disilyne |
rSiSi |
2.215 |
1.978 |
-0.237 |
GaP |
Gallium monophosphide |
rPGa |
2.450 |
2.222 |
-0.228 |
GaP |
Gallium monophosphide |
rPGa |
2.450 |
2.222 |
-0.228 |
GaP |
Gallium monophosphide |
rPGa |
2.450 |
2.222 |
-0.228 |
GaP |
Gallium monophosphide |
rPGa |
2.450 |
2.222 |
-0.228 |
S4 |
Sulfur tetramer |
rSS |
1.898 |
2.126 |
0.228 |
N2O3 |
Dinitrogen trioxide |
rNN |
1.864 |
2.085 |
0.221 |
AlP |
Aluminum monophosphide |
rAlP |
2.400 |
2.181 |
-0.219 |
AlP |
Aluminum monophosphide |
rAlP |
2.400 |
2.181 |
-0.219 |
AlP |
Aluminum monophosphide |
rAlP |
2.400 |
2.181 |
-0.219 |
AlP |
Aluminum monophosphide |
rAlP |
2.400 |
2.181 |
-0.219 |
AlP |
Aluminum monophosphide |
rAlP |
2.400 |
2.181 |
-0.219 |
AlP |
Aluminum monophosphide |
rAlP |
2.400 |
2.181 |
-0.219 |
AlP |
Aluminum monophosphide |
rAlP |
2.260 |
2.043 |
-0.217 |
AlP |
Aluminum monophosphide |
rAlP |
2.260 |
2.043 |
-0.217 |
AlP |
Aluminum monophosphide |
rAlP |
2.260 |
2.043 |
-0.217 |
LiK |
Lithium Potassium |
rLiK |
3.270 |
3.484 |
0.214 |
Al2Cl6 |
Aluminum, di-μ-chlorotetrachlorodi- |
rAlCl |
2.040 |
2.253 |
0.213 |
Si2H2 |
disilyne |
rSiH |
1.668 |
1.462 |
-0.206 |
Ar2+ |
Argon diatomic cation |
rArAr |
2.320 |
2.519 |
0.199 |
GaP |
Gallium monophosphide |
rPGa |
2.250 |
2.053 |
-0.197 |
GaP |
Gallium monophosphide |
rPGa |
2.250 |
2.053 |
-0.197 |
GaP |
Gallium monophosphide |
rPGa |
2.250 |
2.053 |
-0.197 |
GaP |
Gallium monophosphide |
rPGa |
2.250 |
2.053 |
-0.197 |
CaO |
Calcium monoxide |
rOCa |
1.822 |
2.018 |
0.196 |
CaO |
Calcium monoxide |
rOCa |
1.822 |
2.018 |
0.196 |
B2 |
Boron diatomic |
rBB |
1.590 |
1.396 |
-0.194 |
Si2 |
Silicon diatomic |
rSiSi |
2.246 |
2.052 |
-0.194 |
CaCl |
calcium monochloride |
rClCa |
2.437 |
2.629 |
0.193 |
CaH |
Calcium monohydride |
rCaH |
2.003 |
2.190 |
0.187 |
CaH |
Calcium monohydride |
rCaH |
2.003 |
2.190 |
0.187 |
ClF3 |
Chlorine trifluoride |
rFCl |
1.597 |
1.784 |
0.187 |
ClF3 |
Chlorine trifluoride |
rFCl |
1.597 |
1.784 |
0.187 |
GaP |
Gallium monophosphide |
rPGa |
2.240 |
2.053 |
-0.187 |
GaP |
Gallium monophosphide |
rPGa |
2.240 |
2.053 |
-0.187 |
GaP |
Gallium monophosphide |
rPGa |
2.240 |
2.053 |
-0.187 |
GaP |
Gallium monophosphide |
rPGa |
2.240 |
2.053 |
-0.187 |
O2 |
Oxygen diatomic |
rOO |
1.208 |
1.392 |
0.184 |
O2 |
Oxygen diatomic |
rOO |
1.208 |
1.392 |
0.184 |
Si2H2 |
disilyne |
rSiH |
1.668 |
1.486 |
-0.182 |
N2 |
Nitrogen diatomic |
rNN |
1.098 |
1.278 |
0.181 |
N2 |
Nitrogen diatomic |
rNN |
1.098 |
1.278 |
0.181 |
AlP |
Aluminum monophosphide |
rAlP |
2.220 |
2.043 |
-0.177 |
AlP |
Aluminum monophosphide |
rAlP |
2.220 |
2.043 |
-0.177 |
AlP |
Aluminum monophosphide |
rAlP |
2.220 |
2.043 |
-0.177 |
ONNO |
NO dimer |
rNN |
2.236 |
2.062 |
-0.174 |
FO |
Oxygen monofluoride |
rFO |
1.354 |
1.526 |
0.171 |
Al2Cl6 |
Aluminum, di-μ-chlorotetrachlorodi- |
rAlCl |
2.240 |
2.071 |
-0.169 |
Mg2 |
Magnesium diatomic |
rMgMg |
3.891 |
3.722 |
-0.169 |
Ar2 |
Argon diatomic |
rArAr |
3.758 |
3.924 |
0.166 |
S3 |
Sulfur trimer |
rSS |
1.917 |
2.080 |
0.163 |
CaC |
Calcium monocarbide |
rCCa |
2.302 |
2.460 |
0.159 |
CHF2CHF2 |
1,1,2,2-tetrafluoroethane |
rCF |
1.359 |
1.514 |
0.155 |
ClNO |
Nitrosyl chloride |
rNCl |
1.975 |
2.128 |
0.153 |
C5H6 |
Propellane |
rCC |
1.596 |
1.728 |
0.132 |
Si2H2 |
disilyne |
rSiSi |
2.215 |
2.086 |
-0.129 |
AlN |
Aluminum nitride |
rNAl |
1.786 |
1.657 |
-0.129 |
AsN |
Arsenic mononitride |
rNAs |
1.618 |
1.745 |
0.127 |
SeO |
Selenium monoxide |
rSeO |
1.639 |
1.766 |
0.126 |
CuF |
Copper monofluoride |
rCuF |
1.745 |
1.622 |
-0.123 |
KH |
Potassium hydride |
rKH |
2.243 |
2.364 |
0.121 |
KH |
Potassium hydride |
rKH |
2.243 |
2.364 |
0.121 |
CH2N2 |
diazirine |
rNN |
1.228 |
1.349 |
0.121 |
HNO |
Nitrosyl hydride |
rNO |
1.209 |
1.329 |
0.120 |
O2- |
oxygen diatomic anion |
rOO |
1.350 |
1.469 |
0.119 |
O2- |
oxygen diatomic anion |
rOO |
1.350 |
1.469 |
0.119 |
NaLi |
lithium sodium |
rLiNa |
2.889 |
3.008 |
0.119 |
NaLi |
lithium sodium |
rLiNa |
2.889 |
3.008 |
0.119 |
Li2 |
Lithium diatomic |
rLiLi |
2.673 |
2.792 |
0.119 |
CaBr |
Calcium monobromide |
rCaBr |
2.594 |
2.712 |
0.118 |
KCl |
Potassium Chloride |
rKCl |
2.667 |
2.783 |
0.116 |
ClOOCl |
Dichlorine dioxide |
rOO |
1.426 |
1.542 |
0.116 |
Si2H2 |
disilyne |
rSiSi |
2.215 |
2.103 |
-0.113 |
GaP |
Gallium monophosphide |
rPGa |
2.110 |
2.222 |
0.112 |
GaP |
Gallium monophosphide |
rPGa |
2.110 |
2.222 |
0.112 |
GaP |
Gallium monophosphide |
rPGa |
2.110 |
2.222 |
0.112 |
GaP |
Gallium monophosphide |
rPGa |
2.110 |
2.222 |
0.112 |
O3 |
Ozone |
rOO |
1.278 |
1.389 |
0.111 |
CuCl |
Copper monochloride |
rCuCl |
2.051 |
1.943 |
-0.109 |
NO- |
nitric oxide anion |
rNO |
1.258 |
1.366 |
0.108 |
CH3NO |
nitrosomethane |
rNO |
1.211 |
1.318 |
0.107 |
C2H2N2O |
Furazan |
rNO |
1.373 |
1.480 |
0.107 |
CH3OCl |
methyl hypochlorite |
rCO |
1.389 |
1.496 |
0.107 |
Na2 |
Sodium diatomic |
rNaNa |
3.079 |
3.185 |
0.106 |
Na2 |
Sodium diatomic |
rNaNa |
3.079 |
3.185 |
0.106 |
CrH |
Chromium hydride |
rHCr |
1.655 |
1.761 |
0.106 |
SO |
Sulfur monoxide |
rSO |
1.481 |
1.586 |
0.105 |
SO |
Sulfur monoxide |
rSO |
1.481 |
1.586 |
0.105 |
SO |
Sulfur monoxide |
rSO |
1.481 |
1.586 |
0.105 |
SO |
Sulfur monoxide |
rSO |
1.481 |
1.586 |
0.105 |
N2O3 |
Dinitrogen trioxide |
rNO |
1.142 |
1.244 |
0.102 |
BC |
boron monocarbide |
rBC |
1.491 |
1.390 |
-0.101 |
S2N2 |
Disulfur dinitride |
rNS |
1.642 |
1.742 |
0.100 |
CH2N2 |
diazirine |
rCN |
1.482 |
1.582 |
0.100 |
SiP |
Silicon monophosphide |
rSiP |
2.078 |
1.979 |
-0.098 |
H2O3 |
Hydrogen trioxide |
rOO |
1.428 |
1.526 |
0.098 |
C2 |
Carbon diatomic |
rCC |
1.243 |
1.341 |
0.098 |
C2 |
Carbon diatomic |
rCC |
1.243 |
1.341 |
0.098 |
CH2O2 |
Dioxirane |
rOO |
1.516 |
1.614 |
0.098 |
HNO3 |
Nitric acid |
rNO |
1.406 |
1.504 |
0.098 |
CH3CHNOH |
Acetaldoxime |
rNO |
1.408 |
1.506 |
0.098 |
C2H4O |
Ethylene oxide |
rCO |
1.425 |
1.522 |
0.097 |
TiH |
Titanium monohydride |
rHTi |
1.785 |
1.881 |
0.097 |
CFCl |
chlorofluoromethylene |
rCCl |
1.714 |
1.811 |
0.097 |
CH3OCl |
methyl hypochlorite |
rOCl |
1.674 |
1.769 |
0.095 |
VO |
Vanadium monoxide |
rVO |
1.589 |
1.494 |
-0.095 |
NF3 |
Nitrogen trifluoride |
rNF |
1.365 |
1.460 |
0.095 |
NaF |
sodium fluoride |
rNaF |
1.926 |
1.831 |
-0.095 |
CH2NOH |
formaldoxime |
rNO |
1.408 |
1.502 |
0.094 |
SiP |
Silicon monophosphide |
rSiP |
2.078 |
1.983 |
-0.094 |
C2H5NO3 |
Nitric acid, ethyl ester |
rNO |
1.407 |
1.500 |
0.093 |
NCl |
nitrogen monochloride |
rNCl |
1.611 |
1.704 |
0.093 |
NCl |
nitrogen monochloride |
rNCl |
1.611 |
1.704 |
0.093 |
CH2O2 |
Dioxirane |
rCO |
1.388 |
1.481 |
0.093 |
CH3ONO |
Methyl nitrite |
rNO |
1.182 |
1.274 |
0.092 |
ONNO |
NO dimer |
rNO |
1.161 |
1.252 |
0.091 |
NCl3 |
nitrogen trichloride |
rNCl |
1.754 |
1.844 |
0.091 |
NCl3 |
nitrogen trichloride |
rNCl |
1.754 |
1.844 |
0.091 |
C2H2+ |
acetylene cation |
rCC |
1.253 |
1.343 |
0.090 |
N2O |
Nitrous oxide |
rNN |
1.128 |
1.216 |
0.088 |
N2O |
Nitrous oxide |
rNN |
1.128 |
1.216 |
0.088 |
ClF3 |
Chlorine trifluoride |
rFCl |
1.697 |
1.784 |
0.087 |
ClF3 |
Chlorine trifluoride |
rFCl |
1.697 |
1.784 |
0.087 |
ZnS |
Zinc sulfide |
rSZn |
2.046 |
1.960 |
-0.086 |
CH3ONO |
Methyl nitrite |
rNO |
1.398 |
1.484 |
0.086 |
SO |
Sulfur monoxide |
rOS |
1.500 |
1.586 |
0.086 |
SO |
Sulfur monoxide |
rOS |
1.500 |
1.586 |
0.086 |
SO |
Sulfur monoxide |
rOS |
1.500 |
1.586 |
0.086 |
SO |
Sulfur monoxide |
rOS |
1.500 |
1.586 |
0.086 |
OH- |
hydroxide anion |
rOH |
0.964 |
1.049 |
0.085 |
OH- |
hydroxide anion |
rOH |
0.964 |
1.049 |
0.085 |
Ne2+ |
Neon diatomic cation |
rNeNe |
1.765 |
1.681 |
-0.084 |
N2O3 |
Dinitrogen trioxide |
rNO |
1.202 |
1.286 |
0.084 |
BC |
boron monocarbide |
rBC |
1.491 |
1.575 |
0.084 |
He2+ |
helium diatomic cation |
rHeHe |
1.081 |
1.164 |
0.084 |
He2+ |
helium diatomic cation |
rHeHe |
1.081 |
1.164 |
0.084 |
C4H8O2 |
Ethyl acetate |
rCO |
1.448 |
1.531 |
0.083 |
CF3OF |
Trifluoromethylhypofluorite |
rOF |
1.421 |
1.503 |
0.082 |
CF3OF |
Trifluoromethylhypofluorite |
rOF |
1.421 |
1.503 |
0.082 |
NO- |
nitric oxide anion |
rNO |
1.258 |
1.339 |
0.081 |
NO- |
nitric oxide anion |
rNO |
1.258 |
1.339 |
0.081 |
FNO |
Nitrosyl fluoride |
rNO |
1.136 |
1.216 |
0.080 |
KOH |
Potassium hydroxide |
rOH |
0.912 |
0.992 |
0.080 |
CH3NO2 |
Methane, nitro- |
rNO |
1.224 |
1.303 |
0.079 |
C6H5NO2 |
Nitrobenzene |
rNO |
1.223 |
1.302 |
0.079 |
NaK |
Sodium Potassium |
rNaK |
3.589 |
3.668 |
0.079 |
AlP |
Aluminum monophosphide |
rAlP |
2.260 |
2.181 |
-0.079 |
AlP |
Aluminum monophosphide |
rAlP |
2.260 |
2.181 |
-0.079 |
AlP |
Aluminum monophosphide |
rAlP |
2.260 |
2.181 |
-0.079 |
AlP |
Aluminum monophosphide |
rAlP |
2.260 |
2.181 |
-0.079 |
AlP |
Aluminum monophosphide |
rAlP |
2.260 |
2.181 |
-0.079 |
AlP |
Aluminum monophosphide |
rAlP |
2.260 |
2.181 |
-0.079 |
NBr |
nitrogen monobromide |
rNBr |
1.765 |
1.843 |
0.078 |
NO2 |
Nitrogen dioxide |
rNO |
1.193 |
1.271 |
0.078 |
NO2 |
Nitrogen dioxide |
rNO |
1.193 |
1.271 |
0.078 |
ClOF3 |
Chlorine trifluoride oxide |
rFCl |
1.603 |
1.680 |
0.077 |
ZnCN |
Zinc monocyanide |
rCZn |
1.950 |
1.873 |
-0.077 |
ClOOCl |
Dichlorine dioxide |
rOCl |
1.704 |
1.781 |
0.076 |
HO2 |
Hydroperoxy radical |
rOO |
1.331 |
1.406 |
0.075 |
CaOH |
Calcium monohydroxide |
rOCa |
1.976 |
2.051 |
0.075 |
C3H8O2 |
1,3-Propanediol |
rCO |
1.410 |
1.485 |
0.075 |
NHF2 |
difluoramine |
rNF |
1.400 |
1.474 |
0.074 |
CH3CH2O |
Ethoxy radical |
rCO |
1.388 |
1.462 |
0.074 |
NO+ |
nitric oxide cation |
rNO |
1.066 |
1.140 |
0.074 |
NO+ |
nitric oxide cation |
rNO |
1.066 |
1.140 |
0.074 |
HNO3 |
Nitric acid |
rNO |
1.199 |
1.272 |
0.073 |
BeO |
beryllium oxide |
rBeO |
1.331 |
1.404 |
0.073 |
NH2OH |
hydroxylamine |
rNO |
1.453 |
1.526 |
0.073 |
NH2OH |
hydroxylamine |
rNO |
1.453 |
1.526 |
0.073 |
NH2OH |
hydroxylamine |
rNO |
1.453 |
1.526 |
0.073 |
FNO2 |
Nitryl fluoride |
rNO |
1.180 |
1.251 |
0.071 |
CaF |
Calcium monofluoride |
rFCa |
1.967 |
2.038 |
0.071 |
FNO2 |
Nitryl fluoride |
rNF |
1.467 |
1.538 |
0.071 |
ClF3 |
Chlorine trifluoride |
rFCl |
1.597 |
1.667 |
0.070 |
ClF3 |
Chlorine trifluoride |
rFCl |
1.597 |
1.667 |
0.070 |
N2H2 |
(E)-diazene |
rNN |
1.252 |
1.322 |
0.070 |
N2H2 |
(E)-diazene |
rNN |
1.252 |
1.322 |
0.070 |
SO+ |
sulfur monoxide cation |
rOS |
1.424 |
1.494 |
0.070 |
SO+ |
sulfur monoxide cation |
rOS |
1.424 |
1.494 |
0.070 |
OClO |
Chlorine dioxide |
rClO |
1.470 |
1.540 |
0.070 |
H2O2 |
Hydrogen peroxide |
rOO |
1.475 |
1.544 |
0.069 |
H2O2 |
Hydrogen peroxide |
rOO |
1.475 |
1.544 |
0.069 |
H2O2 |
Hydrogen peroxide |
rOO |
1.475 |
1.544 |
0.069 |
H2O2 |
Hydrogen peroxide |
rOO |
1.475 |
1.544 |
0.069 |
CH2FI |
fluoroiodomethane |
rCI |
2.140 |
2.208 |
0.069 |
HOCl |
hypochlorous acid |
rClO |
1.697 |
1.766 |
0.068 |
CuH |
Copper monohydride |
rCuH |
1.463 |
1.395 |
-0.068 |
CuH |
Copper monohydride |
rCuH |
1.463 |
1.395 |
-0.068 |
NF |
nitrogen fluoride |
rNF |
1.317 |
1.385 |
0.068 |
BrO |
Bromine monoxide |
rOBr |
1.718 |
1.786 |
0.068 |
BrO |
Bromine monoxide |
rOBr |
1.718 |
1.786 |
0.068 |
CO |
Carbon monoxide |
rCO |
1.128 |
1.196 |
0.068 |
HNO3 |
Nitric acid |
rNO |
1.211 |
1.279 |
0.068 |
SeO2 |
Selenium dioxide |
rSeO |
1.607 |
1.675 |
0.068 |
SeO2 |
Selenium dioxide |
rSeO |
1.607 |
1.675 |
0.068 |
SOCl2 |
thionyl chloride |
rSCl |
2.076 |
2.144 |
0.068 |
LiCl |
lithium chloride |
rLiCl |
2.021 |
2.088 |
0.067 |
C3H2O3 |
vinylene carbonate |
rCO |
1.364 |
1.431 |
0.067 |
GeO |
Germanium monoxide |
rOGe |
1.625 |
1.691 |
0.066 |
GeO |
Germanium monoxide |
rOGe |
1.625 |
1.691 |
0.066 |
N2 |
Nitrogen diatomic |
rNN |
1.213 |
1.278 |
0.066 |
N2 |
Nitrogen diatomic |
rNN |
1.213 |
1.278 |
0.066 |
SO |
Sulfur monoxide |
rSO |
1.481 |
1.547 |
0.066 |
SO |
Sulfur monoxide |
rSO |
1.481 |
1.547 |
0.066 |
SO |
Sulfur monoxide |
rSO |
1.481 |
1.547 |
0.066 |
SO |
Sulfur monoxide |
rSO |
1.481 |
1.547 |
0.066 |
SO |
Sulfur monoxide |
rSO |
1.481 |
1.547 |
0.066 |
SO |
Sulfur monoxide |
rSO |
1.481 |
1.547 |
0.066 |
LiS |
Lithium monosulfide |
rLiS |
2.150 |
2.215 |
0.065 |
ClO |
Monochlorine monoxide |
rClO |
1.596 |
1.661 |
0.065 |
C2H5NO3 |
Nitric acid, ethyl ester |
rNO |
1.215 |
1.280 |
0.065 |
CH2CHCH2F |
Allyl Fluoride |
rCF |
1.370 |
1.435 |
0.065 |
CH2CHCH2F |
Allyl Fluoride |
rCF |
1.370 |
1.435 |
0.065 |
BrNO |
Nitrosyl bromide |
rNBr |
2.140 |
2.204 |
0.064 |
SSO |
Disulfur monoxide |
rSO |
1.456 |
1.520 |
0.064 |
LiI |
Lithium Iodide |
rLiI |
2.392 |
2.456 |
0.064 |
N2 |
Nitrogen diatomic |
rNN |
1.213 |
1.149 |
-0.064 |
N2 |
Nitrogen diatomic |
rNN |
1.213 |
1.149 |
-0.064 |
N2 |
Nitrogen diatomic |
rNN |
1.213 |
1.149 |
-0.064 |
N2 |
Nitrogen diatomic |
rNN |
1.213 |
1.149 |
-0.064 |
N2 |
Nitrogen diatomic |
rNN |
1.213 |
1.149 |
-0.064 |
N2 |
Nitrogen diatomic |
rNN |
1.213 |
1.149 |
-0.064 |
CF2 |
Difluoromethylene |
rCF |
1.297 |
1.361 |
0.064 |
C2H5NO3 |
Nitric acid, ethyl ester |
rCO |
1.430 |
1.493 |
0.063 |
PO- |
phosphorus monoxide anion |
rOP |
1.540 |
1.603 |
0.063 |
C2H5NO3 |
Nitric acid, ethyl ester |
rNO |
1.215 |
1.278 |
0.063 |
CH3OC2H5 |
Ethane, methoxy- |
rCO |
1.407 |
1.470 |
0.063 |
SeO |
Selenium monoxide |
rSeO |
1.639 |
1.702 |
0.063 |
SeO |
Selenium monoxide |
rSeO |
1.639 |
1.702 |
0.063 |
C4H8O2 |
1,3-Dioxane |
rCO |
1.393 |
1.456 |
0.063 |
CH3I |
methyl iodide |
rCI |
2.136 |
2.198 |
0.062 |
CH3I |
methyl iodide |
rCI |
2.136 |
2.198 |
0.062 |
C5H8 |
Bicyclo[2.1.0]pentane |
rCC |
1.507 |
1.569 |
0.062 |
ClF |
Chlorine monofluoride |
rFCl |
1.628 |
1.690 |
0.061 |
CH2CHCH2F |
Allyl Fluoride |
rCF |
1.370 |
1.431 |
0.061 |
CH2CHCH2F |
Allyl Fluoride |
rCF |
1.370 |
1.431 |
0.061 |
N2O3 |
Dinitrogen trioxide |
rNO |
1.217 |
1.278 |
0.061 |
HN3 |
hydrogen azide |
rNH |
0.975 |
1.036 |
0.061 |
HN3 |
hydrogen azide |
rNH |
0.975 |
1.036 |
0.061 |
PN |
Phosphorus mononitride |
rPN |
1.491 |
1.551 |
0.060 |
HCF |
Fluoromethylene |
rCF |
1.305 |
1.365 |
0.060 |
HCF |
Fluoromethylene |
rCF |
1.305 |
1.365 |
0.060 |
BrF5 |
bromine pentafluoride |
rFBr |
1.689 |
1.748 |
0.059 |
CH2ClI |
chloroiodomethane |
rCI |
2.137 |
2.196 |
0.059 |
CH3NO |
nitrosomethane |
rCN |
1.482 |
1.541 |
0.059 |
NH2F |
monofluoroamine |
rNF |
1.433 |
1.491 |
0.058 |
C4H2O3 |
Maleic Anhydride |
rCO |
1.386 |
1.444 |
0.058 |
BeCl2 |
Beryllium chloride |
rBeCl |
1.750 |
1.808 |
0.058 |
LiH |
Lithium Hydride |
rLiH |
1.595 |
1.652 |
0.057 |
C3F8 |
perfluoropropane |
rCF |
1.330 |
1.387 |
0.057 |
B4H10 |
Tetraborane(10) |
rHB |
1.315 |
1.258 |
-0.057 |
NS+ |
nitrogen sulfide cation |
rNS |
1.440 |
1.497 |
0.057 |
BH3NH3 |
borane ammonia |
rBN |
1.645 |
1.702 |
0.057 |
HOF |
Hypofluorous acid |
rFO |
1.442 |
1.499 |
0.057 |
FCO |
Carbonyl fluoride |
rCF |
1.326 |
1.383 |
0.057 |
GaP |
Gallium monophosphide |
rPGa |
2.110 |
2.053 |
-0.057 |
GaP |
Gallium monophosphide |
rPGa |
2.110 |
2.053 |
-0.057 |
GaP |
Gallium monophosphide |
rPGa |
2.110 |
2.053 |
-0.057 |
GaP |
Gallium monophosphide |
rPGa |
2.110 |
2.053 |
-0.057 |
HOI |
Hypoiodous acid |
rOI |
1.994 |
2.051 |
0.057 |
GaCl3 |
Gallium trichloride |
rClGa |
2.180 |
2.124 |
-0.057 |
GaCl3 |
Gallium trichloride |
rClGa |
2.180 |
2.124 |
-0.057 |
C3O2 |
Carbon suboxide |
rCO |
1.146 |
1.203 |
0.057 |
BH3NH3 |
borane ammonia |
rBN |
1.645 |
1.702 |
0.056 |
PO |
Phosphorus monoxide |
rPO |
1.476 |
1.532 |
0.056 |
PO |
Phosphorus monoxide |
rPO |
1.476 |
1.532 |
0.056 |
NHCl2 |
dichloroamine |
rNCl |
1.760 |
1.816 |
0.056 |
CI4 |
tetraiodomethane |
rCI |
2.157 |
2.212 |
0.055 |
BrNO |
Nitrosyl bromide |
rNO |
1.146 |
1.201 |
0.055 |
CH3OCH3 |
Dimethyl ether |
rCO |
1.411 |
1.466 |
0.055 |
CH2I2 |
Diiodomethane |
rCI |
2.135 |
2.190 |
0.055 |
B2 |
Boron diatomic |
rBB |
1.590 |
1.645 |
0.055 |
NeH+ |
neon hydrogen cation |
rNeH |
0.991 |
1.046 |
0.055 |
C4H4O |
Furan |
rCO |
1.362 |
1.417 |
0.055 |
CHOOCHO |
diformyl ether |
rCO |
1.364 |
1.419 |
0.055 |
CF |
Fluoromethylidyne |
rCF |
1.276 |
1.331 |
0.054 |
HCO |
Formyl radical |
rCH |
1.080 |
1.134 |
0.054 |
KBr |
Potassium Bromide |
rKBr |
2.821 |
2.875 |
0.054 |
CCl2 |
dichloromethylene |
rCCl |
1.711 |
1.765 |
0.054 |
MgF2 |
Magnesium fluoride |
rFMg |
1.770 |
1.716 |
-0.054 |
BH3NH3 |
borane ammonia |
rBN |
1.645 |
1.699 |
0.054 |
NSe |
Nitrogen monoselenide |
rNSe |
1.652 |
1.706 |
0.054 |
As2 |
Arsenic diatomic |
rAsAs |
2.103 |
2.156 |
0.054 |
FCN |
Cyanogen fluoride |
rCF |
1.262 |
1.315 |
0.053 |
CH2CHCH2F |
Allyl Fluoride |
rCF |
1.382 |
1.435 |
0.053 |
CH2CHCH2F |
Allyl Fluoride |
rCF |
1.382 |
1.435 |
0.053 |
CF2 |
Difluoromethylene |
rCF |
1.297 |
1.350 |
0.053 |
HCF |
Fluoromethylene |
rCH |
1.138 |
1.085 |
-0.053 |
HCF |
Fluoromethylene |
rCH |
1.138 |
1.085 |
-0.053 |
SO2 |
Sulfur dioxide |
rSO |
1.432 |
1.485 |
0.053 |
SO2 |
Sulfur dioxide |
rSO |
1.432 |
1.485 |
0.053 |
ClNO |
Nitrosyl chloride |
rNO |
1.139 |
1.192 |
0.053 |
ICl |
Iodine monochloride |
rClI |
2.321 |
2.373 |
0.052 |
NaO |
sodium monoxide |
rONa |
2.052 |
1.999 |
-0.052 |
CH2ClCCCl |
1,3-dichloropropyne |
rCCl |
1.779 |
1.831 |
0.052 |
NCl |
nitrogen monochloride |
rNCl |
1.611 |
1.663 |
0.052 |
CBr |
Carbon monobromide |
rCBr |
1.821 |
1.873 |
0.052 |
ICN |
Cyanogen iodide |
rCI |
1.992 |
2.044 |
0.052 |
CH3ONO |
Methyl nitrite |
rCO |
1.437 |
1.489 |
0.052 |
CH3OC2H5 |
Ethane, methoxy- |
rCO |
1.415 |
1.467 |
0.052 |
TiCl |
Titanium Monochloride |
rClTi |
2.265 |
2.316 |
0.052 |
HClO4 |
perchloric acid |
rOCl |
1.641 |
1.693 |
0.052 |
TeO |
Tellurium monoxide |
rOTe |
1.825 |
1.876 |
0.051 |
HOCH2COOH |
Hydroxyacetic acid |
rCO |
1.406 |
1.457 |
0.051 |
F2 |
Fluorine diatomic |
rFF |
1.412 |
1.463 |
0.051 |
BrF3 |
Bromine trifluoride |
rFBr |
1.721 |
1.772 |
0.051 |
N2 |
Nitrogen diatomic |
rNN |
1.098 |
1.149 |
0.051 |
N2 |
Nitrogen diatomic |
rNN |
1.098 |
1.149 |
0.051 |
N2 |
Nitrogen diatomic |
rNN |
1.098 |
1.149 |
0.051 |
N2 |
Nitrogen diatomic |
rNN |
1.098 |
1.149 |
0.051 |
N2 |
Nitrogen diatomic |
rNN |
1.098 |
1.149 |
0.051 |
N2 |
Nitrogen diatomic |
rNN |
1.098 |
1.149 |
0.051 |
HOBr |
Hypobromous acid |
rBrO |
1.834 |
1.885 |
0.051 |
HOBr |
Hypobromous acid |
rBrO |
1.834 |
1.885 |
0.051 |
C4H8O2 |
Ethyl acetate |
rCO |
1.345 |
1.395 |
0.050 |
B4H10 |
Tetraborane(10) |
rHB |
1.484 |
1.434 |
-0.050 |
373 molecules.