Species |
Name |
Bond type |
Bond Length (Å) |
Experimental |
Calculated |
Difference |
C4H6 |
1-Methylcyclopropene |
rCH |
1.085 |
4.197 |
3.112 |
C4H6 |
1-Methylcyclopropene |
rCH |
1.087 |
3.433 |
2.346 |
H2SO4 |
Sulfuric acid |
rOH |
0.970 |
2.915 |
1.945 |
C4H8S |
Thiophene, tetrahydro- |
rCC |
1.532 |
3.298 |
1.766 |
C4H10O |
Ethanol, 1,1-dimethyl- |
rCH |
1.117 |
2.458 |
1.341 |
Mg2 |
Magnesium diatomic |
rMgMg |
3.891 |
2.683 |
-1.208 |
H2ONH3 |
Water Ammonia Dimer |
rNH |
2.983 |
2.027 |
-0.956 |
C4H6 |
1-Methylcyclopropene |
rCC |
1.476 |
2.271 |
0.795 |
C4H6 |
1-Methylcyclopropene |
rCH |
1.087 |
1.837 |
0.750 |
CH3CH2SH |
ethanethiol |
rCH |
1.095 |
1.834 |
0.739 |
CH3CH2SH |
ethanethiol |
rCH |
1.095 |
1.833 |
0.738 |
CH3CH2SH |
ethanethiol |
rCH |
1.095 |
1.830 |
0.735 |
S4 |
Sulfur tetramer |
rSS |
2.155 |
2.888 |
0.733 |
C4H10O |
Ethanol, 1,1-dimethyl- |
rCO |
1.446 |
2.177 |
0.731 |
C4H8S |
Thiophene, tetrahydro- |
rCH |
1.117 |
1.842 |
0.725 |
HSSSH |
trisulfane |
rHS |
1.344 |
2.064 |
0.720 |
HSSSH |
trisulfane |
rHS |
1.344 |
2.064 |
0.720 |
HSSSH |
trisulfane |
rHS |
1.344 |
2.063 |
0.720 |
HSSSH |
trisulfane |
rHS |
1.344 |
2.063 |
0.720 |
C4H6 |
1-Methylcyclopropene |
rCH |
1.098 |
1.782 |
0.684 |
Na2Cl2 |
Disodium dichloride |
rNaCl |
2.584 |
3.264 |
0.680 |
C4H6 |
1-Methylcyclopropene |
rCH |
1.098 |
1.767 |
0.669 |
Be2 |
Beryllium diatomic |
rBeBe |
2.460 |
1.939 |
-0.521 |
Be2 |
Beryllium diatomic |
rBeBe |
2.460 |
1.939 |
-0.521 |
Li2 |
Lithium diatomic |
rLiLi |
2.673 |
3.159 |
0.486 |
C4H4N2 |
Succinonitrile |
rCC |
1.561 |
1.096 |
-0.465 |
C4H6 |
1-Methylcyclopropene |
rCH |
1.070 |
1.531 |
0.461 |
CH3CH2SH |
ethanethiol |
rCH |
1.089 |
1.536 |
0.447 |
CH3CH2SH |
ethanethiol |
rCH |
1.089 |
1.536 |
0.447 |
CH3CH2SH |
ethanethiol |
rCH |
1.089 |
1.534 |
0.445 |
CH3CH2SH |
ethanethiol |
rCH |
1.092 |
1.536 |
0.444 |
CH3CH2SH |
ethanethiol |
rCH |
1.092 |
1.536 |
0.444 |
CH3CH2SH |
ethanethiol |
rCH |
1.092 |
1.534 |
0.442 |
C(CH3)3NH2 |
2-Propanamine, 2-methyl- |
rNH |
1.048 |
1.484 |
0.436 |
C4H10O |
Methyl propyl ether |
rCC |
1.530 |
1.096 |
-0.434 |
CH3SO2NH2 |
methanesulfonamide |
rCN |
1.207 |
1.636 |
0.429 |
C2H4F2 |
1,2-difluoroethane |
rCH |
1.093 |
1.522 |
0.429 |
C2H4F2 |
1,2-difluoroethane |
rCH |
1.093 |
1.522 |
0.429 |
C4H4N2 |
Succinonitrile |
rCH |
1.123 |
1.552 |
0.429 |
C4H6 |
1-Methylcyclopropene |
rCC |
1.515 |
1.088 |
-0.427 |
C2H4F2 |
1,2-difluoroethane |
rCH |
1.093 |
1.513 |
0.420 |
ONNO |
NO dimer |
rNN |
2.236 |
1.816 |
-0.420 |
C2H4F2 |
1,2-difluoroethane |
rCH |
1.093 |
1.512 |
0.419 |
S4 |
Sulfur tetramer |
rSS |
2.155 |
2.556 |
0.401 |
CH2CHCH2F |
Allyl Fluoride |
rHC |
1.130 |
1.502 |
0.372 |
CH2CHCH2F |
Allyl Fluoride |
rHC |
1.130 |
1.501 |
0.371 |
GaP |
Gallium monophosphide |
rPGa |
2.450 |
2.092 |
-0.358 |
GaP |
Gallium monophosphide |
rPGa |
2.450 |
2.092 |
-0.358 |
GaP |
Gallium monophosphide |
rPGa |
2.450 |
2.092 |
-0.358 |
GaP |
Gallium monophosphide |
rPGa |
2.450 |
2.092 |
-0.358 |
C3H3NO |
Isoxazole |
rCH |
1.075 |
1.429 |
0.354 |
C4H4N2 |
Succinonitrile |
rCH |
1.111 |
1.459 |
0.348 |
C4H10O |
Methyl propyl ether |
rCH |
1.099 |
1.443 |
0.344 |
C4H8S |
Thiophene, tetrahydro- |
rCS |
1.835 |
2.173 |
0.338 |
CH3CF3 |
Ethane, 1,1,1-trifluoro- |
rCF |
1.340 |
1.664 |
0.324 |
AlP |
Aluminum monophosphide |
rAlP |
2.400 |
2.079 |
-0.321 |
AlP |
Aluminum monophosphide |
rAlP |
2.400 |
2.079 |
-0.321 |
AlP |
Aluminum monophosphide |
rAlP |
2.400 |
2.079 |
-0.321 |
CaF |
Calcium monofluoride |
rFCa |
1.967 |
2.280 |
0.313 |
CH3CH2SH |
ethanethiol |
rCC |
1.528 |
1.834 |
0.306 |
CH3CH2SH |
ethanethiol |
rCC |
1.528 |
1.833 |
0.305 |
CH3CH2SH |
ethanethiol |
rCC |
1.528 |
1.830 |
0.302 |
AlCl |
Aluminum monochloride |
rAlCl |
2.130 |
2.420 |
0.289 |
CH3CH2SH |
ethanethiol |
rCS |
1.820 |
1.534 |
-0.286 |
SeO3 |
selenium trioxide |
rSeO |
1.688 |
1.974 |
0.286 |
C2H2+ |
acetylene cation |
rCH |
1.077 |
1.361 |
0.285 |
CH3CH2SH |
ethanethiol |
rCS |
1.820 |
1.536 |
-0.284 |
CH3CH2SH |
ethanethiol |
rCS |
1.820 |
1.536 |
-0.284 |
Si2H2 |
disilyne |
rSiSi |
2.215 |
1.956 |
-0.260 |
Ar2+ |
Argon diatomic cation |
rArAr |
2.320 |
2.566 |
0.246 |
Al2Cl6 |
Aluminum, di-μ-chlorotetrachlorodi- |
rAlCl |
2.040 |
2.284 |
0.244 |
S4 |
Sulfur tetramer |
rSS |
1.898 |
2.132 |
0.234 |
C4H6 |
1-Methylcyclopropene |
rCC |
1.300 |
1.534 |
0.234 |
NaO |
sodium monoxide |
rONa |
2.052 |
1.825 |
-0.226 |
B2 |
Boron diatomic |
rBB |
1.590 |
1.367 |
-0.223 |
B2F4 |
Diboron tetrafluoride |
rBB |
1.720 |
1.502 |
-0.218 |
CaO |
Calcium monoxide |
rOCa |
1.822 |
2.040 |
0.218 |
CaO |
Calcium monoxide |
rOCa |
1.822 |
2.035 |
0.213 |
AsF5 |
Arsenic pentafluoride |
rAsF |
1.711 |
1.919 |
0.208 |
Si2 |
Silicon diatomic |
rSiSi |
2.246 |
2.040 |
-0.206 |
Si2H2 |
disilyne |
rSiH |
1.668 |
1.464 |
-0.204 |
Al2 |
Aluminum diatomic |
rAlAl |
2.701 |
2.501 |
-0.200 |
CaS |
Calcium sulfide |
rSCa |
2.318 |
2.517 |
0.199 |
GaP |
Gallium monophosphide |
rPGa |
2.450 |
2.254 |
-0.196 |
GaP |
Gallium monophosphide |
rPGa |
2.450 |
2.254 |
-0.196 |
GaP |
Gallium monophosphide |
rPGa |
2.450 |
2.254 |
-0.196 |
GaP |
Gallium monophosphide |
rPGa |
2.450 |
2.254 |
-0.196 |
AlP |
Aluminum monophosphide |
rAlP |
2.400 |
2.207 |
-0.193 |
AlP |
Aluminum monophosphide |
rAlP |
2.400 |
2.207 |
-0.193 |
AlP |
Aluminum monophosphide |
rAlP |
2.400 |
2.207 |
-0.193 |
CaCl |
calcium monochloride |
rClCa |
2.437 |
2.623 |
0.186 |
SiP |
Silicon monophosphide |
rSiP |
2.078 |
1.895 |
-0.182 |
NO3 |
Nitrogen trioxide |
rNO |
1.238 |
1.419 |
0.182 |
AlP |
Aluminum monophosphide |
rAlP |
2.260 |
2.079 |
-0.181 |
AlP |
Aluminum monophosphide |
rAlP |
2.260 |
2.079 |
-0.181 |
AlP |
Aluminum monophosphide |
rAlP |
2.260 |
2.079 |
-0.181 |
NO3 |
Nitrogen trioxide |
rNO |
1.238 |
1.418 |
0.181 |
AsF5 |
Arsenic pentafluoride |
rAsF |
1.656 |
1.836 |
0.180 |
ClF5 |
chlorinepentafluoride |
rFCl |
1.650 |
1.827 |
0.177 |
Si2H2 |
disilyne |
rSiH |
1.668 |
1.491 |
-0.177 |
C4H4N2O2 |
Uracil |
rNH |
0.836 |
1.012 |
0.176 |
CaH |
Calcium monohydride |
rCaH |
2.003 |
2.173 |
0.171 |
CH3SCH2CH3 |
Ethane, (methylthio)- |
rCS |
1.804 |
1.634 |
-0.170 |
CH3SCH2CH3 |
Ethane, (methylthio)- |
rCS |
1.804 |
1.635 |
-0.169 |
S3 |
Sulfur trimer |
rSS |
1.917 |
2.084 |
0.167 |
CHF2CHF2 |
1,1,2,2-tetrafluoroethane |
rCF |
1.359 |
1.520 |
0.161 |
SiF4 |
Silicon tetrafluoride |
rSiF |
1.554 |
1.713 |
0.159 |
Cu2 |
Copper diatomic |
rCuCu |
2.220 |
2.061 |
-0.158 |
GaP |
Gallium monophosphide |
rPGa |
2.250 |
2.092 |
-0.158 |
GaP |
Gallium monophosphide |
rPGa |
2.250 |
2.092 |
-0.158 |
GaP |
Gallium monophosphide |
rPGa |
2.250 |
2.092 |
-0.158 |
GaP |
Gallium monophosphide |
rPGa |
2.250 |
2.092 |
-0.158 |
Li2+ |
lithium diatomic cation |
rLiLi |
3.112 |
2.954 |
-0.158 |
Al2Cl6 |
Aluminum, di-μ-chlorotetrachlorodi- |
rAlCl |
2.240 |
2.084 |
-0.156 |
B2Cl4 |
Diboron tetrachloride |
rBB |
1.702 |
1.547 |
-0.155 |
C10H8 |
Azulene |
rCC |
1.414 |
1.568 |
0.154 |
ArH+ |
Argon hydride cation |
rArH |
1.292 |
1.441 |
0.149 |
ClF3 |
Chlorine trifluoride |
rFCl |
1.597 |
1.745 |
0.149 |
ClF3 |
Chlorine trifluoride |
rFCl |
1.597 |
1.745 |
0.149 |
K2 |
Potassium diatomic |
rKK |
3.905 |
4.053 |
0.148 |
GaP |
Gallium monophosphide |
rPGa |
2.240 |
2.092 |
-0.148 |
GaP |
Gallium monophosphide |
rPGa |
2.240 |
2.092 |
-0.148 |
GaP |
Gallium monophosphide |
rPGa |
2.240 |
2.092 |
-0.148 |
GaP |
Gallium monophosphide |
rPGa |
2.240 |
2.092 |
-0.148 |
C4H4N2O2 |
Uracil |
rCH |
0.931 |
1.076 |
0.145 |
HOCO+ |
Hydrocarboxyl cation |
rCO |
1.209 |
1.354 |
0.145 |
B2 |
Boron diatomic |
rBB |
1.590 |
1.445 |
-0.145 |
Si2H2 |
disilyne |
rSiSi |
2.215 |
2.070 |
-0.145 |
GaP |
Gallium monophosphide |
rPGa |
2.110 |
2.254 |
0.144 |
GaP |
Gallium monophosphide |
rPGa |
2.110 |
2.254 |
0.144 |
GaP |
Gallium monophosphide |
rPGa |
2.110 |
2.254 |
0.144 |
GaP |
Gallium monophosphide |
rPGa |
2.110 |
2.254 |
0.144 |
C2H4O3 |
trioxolane124 |
rCN |
1.303 |
1.446 |
0.143 |
AlP |
Aluminum monophosphide |
rAlP |
2.220 |
2.079 |
-0.141 |
AlP |
Aluminum monophosphide |
rAlP |
2.220 |
2.079 |
-0.141 |
AlP |
Aluminum monophosphide |
rAlP |
2.220 |
2.079 |
-0.141 |
BH3NH3 |
borane ammonia |
rBH |
1.206 |
1.067 |
-0.139 |
C2Cl4 |
Tetrachloroethylene |
rCCl |
1.718 |
1.579 |
-0.139 |
ZnS |
Zinc sulfide |
rSZn |
2.046 |
2.185 |
0.138 |
CuF |
Copper monofluoride |
rCuF |
1.745 |
1.607 |
-0.138 |
C4H4N2O2 |
Uracil |
rNH |
0.877 |
1.014 |
0.137 |
N2 |
Nitrogen diatomic |
rNN |
1.098 |
1.234 |
0.137 |
N2 |
Nitrogen diatomic |
rNN |
1.098 |
1.234 |
0.137 |
ClOOCl |
Dichlorine dioxide |
rOCl |
1.704 |
1.571 |
-0.134 |
Si2H2 |
disilyne |
rSiSi |
2.215 |
2.085 |
-0.130 |
C10H8 |
Azulene |
rCC |
1.407 |
1.537 |
0.130 |
CuO |
Copper Monoxide |
rCuO |
1.724 |
1.596 |
-0.128 |
C4H4N2O2 |
Uracil |
rCH |
0.957 |
1.081 |
0.124 |
B2F4 |
Diboron tetrafluoride |
rBF |
1.317 |
1.441 |
0.124 |
ZnS |
Zinc sulfide |
rSZn |
2.046 |
1.929 |
-0.117 |
Na2 |
Sodium diatomic |
rNaNa |
3.079 |
3.195 |
0.116 |
Na2 |
Sodium diatomic |
rNaNa |
3.079 |
3.194 |
0.115 |
NF3 |
Nitrogen trifluoride |
rNF |
1.365 |
1.480 |
0.115 |
NaLi |
lithium sodium |
rLiNa |
2.889 |
3.004 |
0.115 |
ZnCN |
Zinc monocyanide |
rCZn |
1.950 |
1.836 |
-0.114 |
Si2 |
Silicon diatomic |
rSiSi |
2.246 |
2.132 |
-0.114 |
C10H8 |
Azulene |
rCC |
1.405 |
1.291 |
-0.114 |
SiP |
Silicon monophosphide |
rSiP |
2.078 |
1.964 |
-0.113 |
NaLi |
lithium sodium |
rLiNa |
2.889 |
3.002 |
0.113 |
CF3 |
Trifluoromethyl radical |
rCF |
1.318 |
1.430 |
0.112 |
C10H8 |
Azulene |
rCC |
1.398 |
1.288 |
-0.110 |
Al2 |
Aluminum diatomic |
rAlAl |
2.701 |
2.591 |
-0.110 |
PF3 |
Phosphorus trifluoride |
rFP |
1.561 |
1.670 |
0.109 |
C2F4 |
Tetrafluoroethylene |
rCF |
1.319 |
1.427 |
0.108 |
N2 |
Nitrogen diatomic |
rNN |
1.213 |
1.109 |
-0.104 |
N2 |
Nitrogen diatomic |
rNN |
1.213 |
1.109 |
-0.104 |
CF3CN |
Acetonitrile, trifluoro- |
rCF |
1.328 |
1.431 |
0.103 |
LiK |
Lithium Potassium |
rLiK |
3.270 |
3.371 |
0.101 |
Al2 |
Aluminum diatomic |
rAlAl |
2.701 |
2.600 |
-0.101 |
N2 |
Nitrogen diatomic |
rNN |
1.213 |
1.114 |
-0.099 |
N2 |
Nitrogen diatomic |
rNN |
1.213 |
1.114 |
-0.099 |
CuCl |
Copper monochloride |
rCuCl |
2.051 |
1.954 |
-0.098 |
CaBr |
Calcium monobromide |
rCaBr |
2.594 |
2.688 |
0.094 |
Ne2 |
Neon diatomic |
rNeNe |
3.100 |
3.006 |
-0.094 |
O2+ |
diatomic oxygen cation |
rOO |
1.116 |
1.210 |
0.093 |
BH3NH3 |
borane ammonia |
rBN |
1.645 |
1.553 |
-0.092 |
B2 |
Boron diatomic |
rBB |
1.590 |
1.499 |
-0.091 |
KCl |
Potassium Chloride |
rKCl |
2.667 |
2.758 |
0.091 |
HCCl |
Chloromethylene |
rCCl |
1.696 |
1.607 |
-0.089 |
AlN |
Aluminum nitride |
rNAl |
1.786 |
1.698 |
-0.089 |
S8 |
Octasulfur |
rSS |
2.059 |
1.971 |
-0.088 |
CFCl |
chlorofluoromethylene |
rCCl |
1.714 |
1.802 |
0.088 |
NCl |
nitrogen monochloride |
rNCl |
1.611 |
1.697 |
0.086 |
SiC |
silicon monocarbide |
rCSi |
1.722 |
1.636 |
-0.085 |
C3H4O |
Cyclopropanone |
rCO |
1.191 |
1.276 |
0.085 |
KH |
Potassium hydride |
rKH |
2.243 |
2.327 |
0.085 |
C10H8 |
Azulene |
rCC |
1.377 |
1.293 |
-0.084 |
O2 |
Oxygen diatomic |
rOO |
1.208 |
1.289 |
0.082 |
C3H3N3 |
1,3,5-Triazine |
rCN |
1.338 |
1.420 |
0.082 |
CHCl3 |
Chloroform |
rCCl |
1.762 |
1.681 |
-0.081 |
BC |
boron monocarbide |
rBC |
1.491 |
1.411 |
-0.080 |
O2 |
Oxygen diatomic |
rOO |
1.208 |
1.287 |
0.080 |
O2 |
Oxygen diatomic |
rOO |
1.208 |
1.286 |
0.079 |
HOCO+ |
Hydrocarboxyl cation |
rCO |
1.140 |
1.218 |
0.078 |
He2+ |
helium diatomic cation |
rHeHe |
1.081 |
1.159 |
0.078 |
CF3CN |
Acetonitrile, trifluoro- |
rCC |
1.492 |
1.416 |
-0.077 |
C2 |
Carbon diatomic |
rCC |
1.243 |
1.319 |
0.077 |
NF3 |
Nitrogen trifluoride |
rNF |
1.365 |
1.441 |
0.076 |
LiCl |
lithium chloride |
rLiCl |
2.021 |
2.096 |
0.076 |
NO+ |
nitric oxide cation |
rNO |
1.066 |
1.141 |
0.076 |
SiC |
silicon monocarbide |
rCSi |
1.722 |
1.647 |
-0.075 |
C4H8O2 |
Ethyl acetate |
rCO |
1.448 |
1.522 |
0.074 |
C4H10O |
Ethoxy ethane |
rCO |
1.411 |
1.484 |
0.073 |
NaOH |
sodium hydroxide |
rNaO |
1.950 |
1.878 |
-0.072 |
C3H4O |
Cyclopropanone |
rCH |
1.086 |
1.014 |
-0.072 |
Li2 |
Lithium diatomic |
rLiLi |
2.673 |
2.745 |
0.072 |
NaF |
sodium fluoride |
rNaF |
1.926 |
1.855 |
-0.071 |
KOH |
Potassium hydroxide |
rOH |
0.912 |
0.983 |
0.071 |
CO |
Carbon monoxide |
rCO |
1.128 |
1.199 |
0.071 |
C2H2N2O |
Furazan |
rNO |
1.373 |
1.443 |
0.070 |
PCl3 |
Phosphorus trichloride |
rPCl |
2.043 |
1.974 |
-0.069 |
H2Cl+ |
dihydrogen monochloride cation |
rHCl |
1.321 |
1.390 |
0.069 |
ClNO2 |
Nitryl chloride |
rNCl |
1.840 |
1.909 |
0.069 |
OH- |
hydroxide anion |
rOH |
0.964 |
1.032 |
0.068 |
NO- |
nitric oxide anion |
rNO |
1.258 |
1.326 |
0.068 |
NBr |
nitrogen monobromide |
rNBr |
1.765 |
1.833 |
0.068 |
LiCl |
lithium chloride |
rLiCl |
2.021 |
2.088 |
0.067 |
NO- |
nitric oxide anion |
rNO |
1.258 |
1.325 |
0.067 |
CH3OCl |
methyl hypochlorite |
rCO |
1.389 |
1.456 |
0.067 |
LiS |
Lithium monosulfide |
rLiS |
2.150 |
2.215 |
0.066 |
ClF3 |
Chlorine trifluoride |
rFCl |
1.597 |
1.660 |
0.064 |
ClF3 |
Chlorine trifluoride |
rFCl |
1.597 |
1.660 |
0.064 |
LiI |
Lithium Iodide |
rLiI |
2.392 |
2.455 |
0.063 |
FOO |
Dioxygen monofluoride radical |
rOO |
1.200 |
1.263 |
0.063 |
C2H4O |
Ethylene oxide |
rCO |
1.425 |
1.488 |
0.063 |
BrF5 |
bromine pentafluoride |
rFBr |
1.689 |
1.752 |
0.063 |
BH3NH3 |
borane ammonia |
rNH |
1.010 |
0.948 |
-0.062 |
C5H6 |
Propellane |
rCC |
1.596 |
1.658 |
0.062 |
F2+ |
flourine diatomic cation |
rFF |
1.322 |
1.384 |
0.062 |
C2H2+ |
acetylene cation |
rCC |
1.253 |
1.314 |
0.061 |
CuH |
Copper monohydride |
rCuH |
1.463 |
1.402 |
-0.061 |
BrO |
Bromine monoxide |
rOBr |
1.718 |
1.778 |
0.060 |
BrO |
Bromine monoxide |
rOBr |
1.718 |
1.777 |
0.060 |
ClFO3 |
Perchloryl fluoride |
rFCl |
1.598 |
1.657 |
0.059 |
ClO |
Monochlorine monoxide |
rClO |
1.596 |
1.655 |
0.059 |
NCl |
nitrogen monochloride |
rNCl |
1.611 |
1.669 |
0.059 |
SeO3 |
selenium trioxide |
rSeO |
1.688 |
1.630 |
-0.058 |
HO2 |
Hydroperoxy radical |
rOO |
1.331 |
1.389 |
0.058 |
HNO3 |
Nitric acid |
rNO |
1.406 |
1.464 |
0.058 |
Si2H2 |
disilyne |
rSiH |
1.668 |
1.726 |
0.058 |
GaCl3 |
Gallium trichloride |
rClGa |
2.180 |
2.122 |
-0.058 |
CH3CHNOH |
Acetaldoxime |
rNO |
1.408 |
1.466 |
0.058 |
BHCl2 |
Borane, dichloro- |
rBH |
1.130 |
1.186 |
0.056 |
NHF2 |
difluoramine |
rNF |
1.400 |
1.456 |
0.056 |
NH2SH |
Thiohydroxylamine |
rNS |
1.719 |
1.663 |
-0.056 |
NH2SH |
Thiohydroxylamine |
rNS |
1.719 |
1.663 |
-0.056 |
NH2SH |
Thiohydroxylamine |
rNS |
1.719 |
1.663 |
-0.056 |
NH2SH |
Thiohydroxylamine |
rNS |
1.719 |
1.663 |
-0.056 |
HN3 |
hydrogen azide |
rNH |
0.975 |
1.031 |
0.056 |
CH2SHCH2SH |
1,2-Ethanedithiol |
rSH |
1.400 |
1.345 |
-0.055 |
HN3 |
hydrogen azide |
rNH |
0.975 |
1.030 |
0.055 |
SeO |
Selenium monoxide |
rSeO |
1.639 |
1.694 |
0.055 |
ClOF3 |
Chlorine trifluoride oxide |
rFCl |
1.603 |
1.658 |
0.055 |
C4H6 |
Methylenecyclopropane |
rCH |
1.088 |
1.033 |
-0.055 |
SeO |
Selenium monoxide |
rSeO |
1.639 |
1.694 |
0.054 |
FO |
Oxygen monofluoride |
rFO |
1.354 |
1.408 |
0.054 |
LiH |
Lithium Hydride |
rLiH |
1.595 |
1.649 |
0.054 |
GaCl3 |
Gallium trichloride |
rClGa |
2.180 |
2.127 |
-0.053 |
CH2ClCHCl2 |
1,1,2-trichloroethane |
rCC |
1.580 |
1.527 |
-0.053 |
FSSF |
Difluorodisulfane |
rSS |
1.890 |
1.943 |
0.053 |
AlP |
Aluminum monophosphide |
rAlP |
2.260 |
2.207 |
-0.053 |
AlP |
Aluminum monophosphide |
rAlP |
2.260 |
2.207 |
-0.053 |
AlP |
Aluminum monophosphide |
rAlP |
2.260 |
2.207 |
-0.053 |
BrCN |
Cyanogen bromide |
rCBr |
1.789 |
1.842 |
0.053 |
S3 |
Sulfur trimer |
rSS |
1.917 |
1.865 |
-0.052 |
CH2NOH |
formaldoxime |
rNO |
1.408 |
1.460 |
0.052 |
CH3CHClCH2CH3 |
Butane, 2-chloro- |
rCCl |
1.781 |
1.833 |
0.052 |
HCCl |
Chloromethylene |
rCH |
1.119 |
1.067 |
-0.052 |
CH3CF3 |
Ethane, 1,1,1-trifluoro- |
rCH |
1.081 |
1.029 |
-0.052 |
MgF2 |
Magnesium fluoride |
rFMg |
1.770 |
1.718 |
-0.052 |
KOH |
Potassium hydroxide |
rOK |
2.212 |
2.160 |
-0.051 |
C3H8O2 |
1,3-Propanediol |
rCO |
1.410 |
1.461 |
0.051 |
CH2CHCH2F |
Allyl Fluoride |
rCF |
1.370 |
1.421 |
0.051 |
CH2CHCH2F |
Allyl Fluoride |
rCF |
1.370 |
1.421 |
0.051 |
C4H6 |
Methylenecyclopropane |
rCH |
1.090 |
1.039 |
-0.051 |
Zn(CH3)2 |
dimethyl zinc |
rZnC |
1.930 |
1.879 |
-0.051 |
CH3CHNOH |
Acetaldoxime |
rCC |
1.550 |
1.500 |
-0.050 |
C3H6O3 |
1,3,5-Trioxane |
rCO |
1.421 |
1.471 |
0.050 |
BrF3 |
Bromine trifluoride |
rFBr |
1.721 |
1.771 |
0.050 |
CH3CHNOH |
Acetaldoxime |
rCC |
1.550 |
1.500 |
-0.050 |
280 molecules.