Species |
Name |
Bond type |
Bond Length (Å) |
Experimental |
Calculated |
Difference |
C4H6 |
1-Methylcyclopropene |
rCH |
1.085 |
4.238 |
3.153 |
C4H6 |
1-Methylcyclopropene |
rCH |
1.087 |
3.470 |
2.383 |
C2H4O3 |
trioxolane124 |
rCN |
1.303 |
2.288 |
0.985 |
Na2 |
Sodium diatomic |
rNaNa |
3.079 |
2.249 |
-0.830 |
Na2 |
Sodium diatomic |
rNaNa |
3.079 |
2.249 |
-0.830 |
S4 |
Sulfur tetramer |
rSS |
2.155 |
2.974 |
0.819 |
C4H6 |
1-Methylcyclopropene |
rCC |
1.476 |
2.292 |
0.816 |
CH3CH2SH |
ethanethiol |
rCH |
1.095 |
1.875 |
0.780 |
CH3CH2SH |
ethanethiol |
rCH |
1.095 |
1.875 |
0.780 |
CH3CH2SH |
ethanethiol |
rCH |
1.095 |
1.871 |
0.776 |
HSSSH |
trisulfane |
rHS |
1.344 |
2.118 |
0.774 |
HSSSH |
trisulfane |
rHS |
1.344 |
2.118 |
0.774 |
HSSSH |
trisulfane |
rHS |
1.344 |
2.117 |
0.773 |
HSSSH |
trisulfane |
rHS |
1.344 |
2.117 |
0.773 |
C4H6 |
1-Methylcyclopropene |
rCH |
1.087 |
1.849 |
0.762 |
C4H6 |
1-Methylcyclopropene |
rCH |
1.098 |
1.795 |
0.697 |
C4H6 |
1-Methylcyclopropene |
rCH |
1.098 |
1.778 |
0.680 |
S4 |
Sulfur tetramer |
rSS |
2.155 |
2.689 |
0.534 |
S4 |
Sulfur tetramer |
rSS |
2.155 |
2.689 |
0.534 |
Mg2 |
Magnesium diatomic |
rMgMg |
3.891 |
3.408 |
-0.482 |
Mg2 |
Magnesium diatomic |
rMgMg |
3.891 |
3.408 |
-0.482 |
CH3SO2NH2 |
methanesulfonamide |
rCN |
1.207 |
1.689 |
0.482 |
C4H6 |
1-Methylcyclopropene |
rCH |
1.070 |
1.549 |
0.479 |
CH3CH2SH |
ethanethiol |
rCH |
1.089 |
1.552 |
0.463 |
CH3CH2SH |
ethanethiol |
rCH |
1.089 |
1.552 |
0.463 |
CH3CH2SH |
ethanethiol |
rCH |
1.089 |
1.550 |
0.461 |
CH3CH2SH |
ethanethiol |
rCH |
1.092 |
1.552 |
0.460 |
CH3CH2SH |
ethanethiol |
rCH |
1.092 |
1.552 |
0.460 |
CH3CH2SH |
ethanethiol |
rCH |
1.092 |
1.550 |
0.458 |
C2H4F2 |
1,2-difluoroethane |
rCH |
1.093 |
1.539 |
0.446 |
C2H4F2 |
1,2-difluoroethane |
rCH |
1.093 |
1.539 |
0.446 |
C2H4F2 |
1,2-difluoroethane |
rCH |
1.093 |
1.529 |
0.436 |
C2H4F2 |
1,2-difluoroethane |
rCH |
1.093 |
1.529 |
0.436 |
C4H10O |
Methyl propyl ether |
rCC |
1.530 |
1.104 |
-0.426 |
C4H6 |
1-Methylcyclopropene |
rCC |
1.515 |
1.097 |
-0.418 |
Al2 |
Aluminum diatomic |
rAlAl |
2.701 |
3.104 |
0.403 |
Ar2+ |
Argon diatomic cation |
rArAr |
2.320 |
2.707 |
0.387 |
CH2CHCH2F |
Allyl Fluoride |
rHC |
1.130 |
1.517 |
0.387 |
CH2CHCH2F |
Allyl Fluoride |
rHC |
1.130 |
1.513 |
0.383 |
C4H10O |
Methyl propyl ether |
rCH |
1.099 |
1.471 |
0.372 |
C3H3NO |
Isoxazole |
rCH |
1.075 |
1.439 |
0.364 |
CH3CH2SH |
ethanethiol |
rCC |
1.528 |
1.875 |
0.347 |
CH3CH2SH |
ethanethiol |
rCC |
1.528 |
1.875 |
0.347 |
CH3CH2SH |
ethanethiol |
rCC |
1.528 |
1.871 |
0.343 |
GaP |
Gallium monophosphide |
rPGa |
2.450 |
2.116 |
-0.334 |
GaP |
Gallium monophosphide |
rPGa |
2.450 |
2.116 |
-0.334 |
GaP |
Gallium monophosphide |
rPGa |
2.450 |
2.116 |
-0.334 |
GaP |
Gallium monophosphide |
rPGa |
2.450 |
2.116 |
-0.334 |
CuH |
Copper monohydride |
rCuH |
1.463 |
1.796 |
0.333 |
CuH |
Copper monohydride |
rCuH |
1.463 |
1.796 |
0.333 |
Be2 |
Beryllium diatomic |
rBeBe |
2.460 |
2.153 |
-0.307 |
Be2 |
Beryllium diatomic |
rBeBe |
2.460 |
2.153 |
-0.307 |
S4 |
Sulfur tetramer |
rSS |
1.898 |
2.202 |
0.304 |
AlP |
Aluminum monophosphide |
rAlP |
2.400 |
2.096 |
-0.304 |
AlP |
Aluminum monophosphide |
rAlP |
2.400 |
2.096 |
-0.304 |
AlP |
Aluminum monophosphide |
rAlP |
2.400 |
2.096 |
-0.304 |
C2H2+ |
acetylene cation |
rCH |
1.077 |
1.379 |
0.302 |
CuCl |
Copper monochloride |
rCuCl |
2.051 |
2.325 |
0.273 |
CH3CH2SH |
ethanethiol |
rCS |
1.820 |
1.550 |
-0.270 |
CH3CH2SH |
ethanethiol |
rCS |
1.820 |
1.552 |
-0.268 |
CH3CH2SH |
ethanethiol |
rCS |
1.820 |
1.552 |
-0.268 |
Al2Cl6 |
Aluminum, di-μ-chlorotetrachlorodi- |
rAlCl |
2.040 |
2.302 |
0.262 |
C4H6 |
1-Methylcyclopropene |
rCC |
1.300 |
1.547 |
0.247 |
CaS |
Calcium sulfide |
rSCa |
2.318 |
2.563 |
0.246 |
CaO |
Calcium monoxide |
rOCa |
1.822 |
2.066 |
0.244 |
CaO |
Calcium monoxide |
rOCa |
1.822 |
2.066 |
0.244 |
Si2H2 |
disilyne |
rSiSi |
2.215 |
1.986 |
-0.230 |
S3 |
Sulfur trimer |
rSS |
1.917 |
2.142 |
0.225 |
ClF3 |
Chlorine trifluoride |
rFCl |
1.597 |
1.813 |
0.216 |
ClF3 |
Chlorine trifluoride |
rFCl |
1.597 |
1.813 |
0.216 |
Al2 |
Aluminum diatomic |
rAlAl |
2.701 |
2.495 |
-0.207 |
Al2 |
Aluminum diatomic |
rAlAl |
2.701 |
2.495 |
-0.207 |
B2 |
Boron diatomic |
rBB |
1.590 |
1.385 |
-0.205 |
ClOOCl |
Dichlorine dioxide |
rOCl |
1.704 |
1.905 |
0.200 |
CaCl |
calcium monochloride |
rClCa |
2.437 |
2.634 |
0.197 |
Si2H2 |
disilyne |
rSiH |
1.668 |
1.474 |
-0.194 |
He2+ |
helium diatomic cation |
rHeHe |
1.081 |
1.274 |
0.194 |
He2+ |
helium diatomic cation |
rHeHe |
1.081 |
1.274 |
0.194 |
CaC |
Calcium monocarbide |
rCCa |
2.302 |
2.489 |
0.187 |
CaH |
Calcium monohydride |
rCaH |
2.003 |
2.188 |
0.186 |
CaH |
Calcium monohydride |
rCaH |
2.003 |
2.188 |
0.186 |
GaP |
Gallium monophosphide |
rPGa |
2.110 |
2.291 |
0.181 |
GaP |
Gallium monophosphide |
rPGa |
2.110 |
2.291 |
0.181 |
GaP |
Gallium monophosphide |
rPGa |
2.110 |
2.291 |
0.181 |
GaP |
Gallium monophosphide |
rPGa |
2.110 |
2.291 |
0.181 |
NaO |
sodium monoxide |
rONa |
2.052 |
1.872 |
-0.180 |
NaO |
sodium monoxide |
rONa |
2.052 |
1.872 |
-0.180 |
ClNO2 |
Nitryl chloride |
rNCl |
1.840 |
2.019 |
0.179 |
Si2 |
Silicon diatomic |
rSiSi |
2.246 |
2.069 |
-0.177 |
CHF2CHF2 |
1,1,2,2-tetrafluoroethane |
rCF |
1.359 |
1.530 |
0.171 |
CFCl |
chlorofluoromethylene |
rCCl |
1.714 |
1.882 |
0.168 |
AlP |
Aluminum monophosphide |
rAlP |
2.400 |
2.233 |
-0.167 |
AlP |
Aluminum monophosphide |
rAlP |
2.400 |
2.233 |
-0.167 |
AlP |
Aluminum monophosphide |
rAlP |
2.400 |
2.233 |
-0.167 |
AlP |
Aluminum monophosphide |
rAlP |
2.400 |
2.233 |
-0.167 |
AlP |
Aluminum monophosphide |
rAlP |
2.400 |
2.233 |
-0.167 |
AlP |
Aluminum monophosphide |
rAlP |
2.400 |
2.233 |
-0.167 |
AlP |
Aluminum monophosphide |
rAlP |
2.260 |
2.096 |
-0.164 |
AlP |
Aluminum monophosphide |
rAlP |
2.260 |
2.096 |
-0.164 |
AlP |
Aluminum monophosphide |
rAlP |
2.260 |
2.096 |
-0.164 |
Si2H2 |
disilyne |
rSiH |
1.668 |
1.506 |
-0.162 |
GaP |
Gallium monophosphide |
rPGa |
2.450 |
2.291 |
-0.159 |
GaP |
Gallium monophosphide |
rPGa |
2.450 |
2.291 |
-0.159 |
GaP |
Gallium monophosphide |
rPGa |
2.450 |
2.291 |
-0.159 |
GaP |
Gallium monophosphide |
rPGa |
2.450 |
2.291 |
-0.159 |
FNO3 |
Fluorine nitrate |
rNO |
1.507 |
1.665 |
0.158 |
CH3NO3 |
Methyl nitrate |
rNO |
1.402 |
1.558 |
0.156 |
ClS2 |
Sulfur chloride |
rSCl |
2.071 |
2.226 |
0.155 |
N2 |
Nitrogen diatomic |
rNN |
1.098 |
1.251 |
0.153 |
N2 |
Nitrogen diatomic |
rNN |
1.098 |
1.251 |
0.153 |
CH3ONO |
Methyl nitrite |
rNO |
1.398 |
1.550 |
0.152 |
ClF3 |
Chlorine trifluoride |
rFCl |
1.597 |
1.746 |
0.149 |
ClF3 |
Chlorine trifluoride |
rFCl |
1.597 |
1.746 |
0.149 |
C2H5NO3 |
Nitric acid, ethyl ester |
rNO |
1.407 |
1.555 |
0.148 |
FOO |
Dioxygen monofluoride radical |
rOO |
1.200 |
1.347 |
0.147 |
ClOF3 |
Chlorine trifluoride oxide |
rFCl |
1.603 |
1.748 |
0.145 |
CuF |
Copper monofluoride |
rCuF |
1.745 |
1.600 |
-0.145 |
NCl3 |
nitrogen trichloride |
rNCl |
1.754 |
1.897 |
0.143 |
NCl3 |
nitrogen trichloride |
rNCl |
1.754 |
1.897 |
0.143 |
SOCl2 |
thionyl chloride |
rSCl |
2.076 |
2.218 |
0.142 |
CH3OCl |
methyl hypochlorite |
rOCl |
1.674 |
1.816 |
0.142 |
ZnCN |
Zinc monocyanide |
rCZn |
1.950 |
1.809 |
-0.141 |
ClSSCl |
Disulfur dichloride |
rSCl |
2.057 |
2.197 |
0.140 |
Al2Cl6 |
Aluminum, di-μ-chlorotetrachlorodi- |
rAlCl |
2.240 |
2.101 |
-0.139 |
HClO4 |
perchloric acid |
rOCl |
1.641 |
1.779 |
0.138 |
HNO3 |
Nitric acid |
rNO |
1.406 |
1.541 |
0.135 |
HNO3 |
Nitric acid |
rNO |
1.406 |
1.541 |
0.135 |
GaP |
Gallium monophosphide |
rPGa |
2.250 |
2.116 |
-0.134 |
GaP |
Gallium monophosphide |
rPGa |
2.250 |
2.116 |
-0.134 |
GaP |
Gallium monophosphide |
rPGa |
2.250 |
2.116 |
-0.134 |
GaP |
Gallium monophosphide |
rPGa |
2.250 |
2.116 |
-0.134 |
HNO2 |
Nitrous acid |
rNO |
1.442 |
1.574 |
0.132 |
CO |
Carbon monoxide |
rCO |
1.128 |
1.260 |
0.131 |
O2 |
Oxygen diatomic |
rOO |
1.208 |
1.335 |
0.128 |
ZnS |
Zinc sulfide |
rSZn |
2.046 |
1.920 |
-0.126 |
SF5Cl |
sulfur chloropentafluoride |
rSCl |
2.030 |
2.155 |
0.125 |
NF3 |
Nitrogen trifluoride |
rNF |
1.365 |
1.489 |
0.125 |
NF3 |
Nitrogen trifluoride |
rNF |
1.365 |
1.489 |
0.125 |
ClFO3 |
Perchloryl fluoride |
rFCl |
1.598 |
1.722 |
0.124 |
GaP |
Gallium monophosphide |
rPGa |
2.240 |
2.116 |
-0.124 |
GaP |
Gallium monophosphide |
rPGa |
2.240 |
2.116 |
-0.124 |
GaP |
Gallium monophosphide |
rPGa |
2.240 |
2.116 |
-0.124 |
GaP |
Gallium monophosphide |
rPGa |
2.240 |
2.116 |
-0.124 |
AlP |
Aluminum monophosphide |
rAlP |
2.220 |
2.096 |
-0.124 |
AlP |
Aluminum monophosphide |
rAlP |
2.220 |
2.096 |
-0.124 |
AlP |
Aluminum monophosphide |
rAlP |
2.220 |
2.096 |
-0.124 |
O3 |
Ozone |
rOO |
1.278 |
1.401 |
0.123 |
O3 |
Ozone |
rOO |
1.278 |
1.401 |
0.123 |
NCl |
nitrogen monochloride |
rNCl |
1.611 |
1.734 |
0.123 |
NCl |
nitrogen monochloride |
rNCl |
1.611 |
1.734 |
0.123 |
O2 |
Oxygen diatomic |
rOO |
1.208 |
1.330 |
0.122 |
O2 |
Oxygen diatomic |
rOO |
1.208 |
1.330 |
0.122 |
O2 |
Oxygen diatomic |
rOO |
1.208 |
1.330 |
0.122 |
OClO |
Chlorine dioxide |
rClO |
1.470 |
1.591 |
0.121 |
OClO |
Chlorine dioxide |
rClO |
1.470 |
1.591 |
0.121 |
OClO |
Chlorine dioxide |
rClO |
1.470 |
1.591 |
0.121 |
OH- |
hydroxide anion |
rOH |
0.964 |
1.084 |
0.120 |
OH- |
hydroxide anion |
rOH |
0.964 |
1.084 |
0.120 |
C2H2N2O |
Furazan |
rNO |
1.373 |
1.492 |
0.119 |
CH3COCl |
Acetyl Chloride |
rCCl |
1.798 |
1.917 |
0.119 |
Cl2O |
Dichlorine monoxide |
rClO |
1.696 |
1.815 |
0.119 |
NHCl2 |
dichloroamine |
rNCl |
1.760 |
1.878 |
0.118 |
CaBr |
Calcium monobromide |
rCaBr |
2.594 |
2.712 |
0.118 |
O2+ |
diatomic oxygen cation |
rOO |
1.116 |
1.234 |
0.117 |
O2+ |
diatomic oxygen cation |
rOO |
1.116 |
1.234 |
0.117 |
ClF3 |
Chlorine trifluoride |
rFCl |
1.697 |
1.813 |
0.116 |
ClF3 |
Chlorine trifluoride |
rFCl |
1.697 |
1.813 |
0.116 |
NO- |
nitric oxide anion |
rNO |
1.258 |
1.373 |
0.115 |
HO2 |
Hydroperoxy radical |
rOO |
1.331 |
1.445 |
0.114 |
CCl2 |
dichloromethylene |
rCCl |
1.711 |
1.825 |
0.114 |
NO- |
nitric oxide anion |
rNO |
1.258 |
1.371 |
0.113 |
NO- |
nitric oxide anion |
rNO |
1.258 |
1.371 |
0.113 |
CHF2Cl |
difluorochloromethane |
rCCl |
1.747 |
1.859 |
0.112 |
LiK |
Lithium Potassium |
rLiK |
3.270 |
3.380 |
0.110 |
Ar2 |
Argon diatomic |
rArAr |
3.758 |
3.868 |
0.110 |
N2F2 |
(Z)-Difluorodiazene |
rNF |
1.384 |
1.494 |
0.110 |
NaK |
Sodium Potassium |
rNaK |
3.589 |
3.479 |
-0.110 |
HOCl |
hypochlorous acid |
rClO |
1.697 |
1.806 |
0.109 |
F2+ |
flourine diatomic cation |
rFF |
1.322 |
1.431 |
0.109 |
F2+ |
flourine diatomic cation |
rFF |
1.322 |
1.431 |
0.109 |
CH2ClCCCl |
1,3-dichloropropyne |
rCCl |
1.779 |
1.887 |
0.108 |
BrF5 |
bromine pentafluoride |
rFBr |
1.689 |
1.797 |
0.108 |
HOCl |
hypochlorous acid |
rClO |
1.697 |
1.805 |
0.108 |
O2- |
oxygen diatomic anion |
rOO |
1.350 |
1.457 |
0.107 |
O2- |
oxygen diatomic anion |
rOO |
1.350 |
1.457 |
0.107 |
CH2FI |
fluoroiodomethane |
rCI |
2.140 |
2.246 |
0.106 |
ClNO |
Nitrosyl chloride |
rNCl |
1.975 |
2.081 |
0.106 |
CH3CHNOH |
Acetaldoxime |
rNO |
1.408 |
1.514 |
0.106 |
CH3CHClCH2CH3 |
Butane, 2-chloro- |
rCCl |
1.781 |
1.887 |
0.106 |
H2O3 |
Hydrogen trioxide |
rOO |
1.428 |
1.534 |
0.106 |
BrF3 |
Bromine trifluoride |
rFBr |
1.721 |
1.826 |
0.105 |
CH3OCl |
methyl hypochlorite |
rCO |
1.389 |
1.493 |
0.104 |
ClO |
Monochlorine monoxide |
rClO |
1.596 |
1.700 |
0.104 |
ClO |
Monochlorine monoxide |
rClO |
1.596 |
1.700 |
0.104 |
ClO |
Monochlorine monoxide |
rClO |
1.596 |
1.699 |
0.103 |
CH3CHNOH |
Acetaldoxime |
rNO |
1.408 |
1.511 |
0.103 |
CuO |
Copper Monoxide |
rCuO |
1.724 |
1.622 |
-0.103 |
NHF2 |
difluoramine |
rNF |
1.400 |
1.503 |
0.103 |
NBr |
nitrogen monobromide |
rNBr |
1.765 |
1.867 |
0.102 |
CBrClF2 |
Methane, bromochlorodifluoro- |
rCCl |
1.736 |
1.837 |
0.102 |
Si2H2 |
disilyne |
rSiSi |
2.215 |
2.114 |
-0.101 |
F3NO |
Nitrogen trifluoride oxide |
rNF |
1.431 |
1.532 |
0.101 |
ClNO |
Nitrosyl chloride |
rNCl |
1.975 |
2.076 |
0.101 |
CH2FCl |
fluorochloromethane |
rCCl |
1.762 |
1.863 |
0.101 |
CF3OF |
Trifluoromethylhypofluorite |
rOF |
1.421 |
1.521 |
0.100 |
CF3OF |
Trifluoromethylhypofluorite |
rOF |
1.421 |
1.521 |
0.100 |
CH3CCl(CH3)CH3 |
Propane, 2-chloro-2-methyl- |
rCCl |
1.803 |
1.903 |
0.100 |
NF |
nitrogen fluoride |
rNF |
1.317 |
1.417 |
0.100 |
NF |
nitrogen fluoride |
rNF |
1.317 |
1.417 |
0.100 |
C5H6 |
Propellane |
rCC |
1.596 |
1.696 |
0.100 |
ICl |
Iodine monochloride |
rClI |
2.321 |
2.420 |
0.099 |
NH2OH |
hydroxylamine |
rNO |
1.453 |
1.552 |
0.099 |
NH2OH |
hydroxylamine |
rNO |
1.453 |
1.551 |
0.098 |
NH2OH |
hydroxylamine |
rNO |
1.453 |
1.551 |
0.098 |
CH2NOH |
formaldoxime |
rNO |
1.408 |
1.506 |
0.098 |
HClO4 |
perchloric acid |
rOCl |
1.404 |
1.502 |
0.098 |
HCCl |
Chloromethylene |
rCCl |
1.696 |
1.793 |
0.097 |
F2O |
Difluorine monoxide |
rFO |
1.405 |
1.502 |
0.097 |
CHFClBr |
fluorochlorobromomethane |
rCCl |
1.745 |
1.842 |
0.097 |
CHFClBr |
fluorochlorobromomethane |
rCCl |
1.745 |
1.842 |
0.097 |
BrO |
Bromine monoxide |
rOBr |
1.718 |
1.814 |
0.096 |
ClOF3 |
Chlorine trifluoride oxide |
rOCl |
1.405 |
1.501 |
0.096 |
Cl2 |
Chlorine diatomic |
rClCl |
1.988 |
2.083 |
0.096 |
FO |
Oxygen monofluoride |
rFO |
1.354 |
1.450 |
0.095 |
FO |
Oxygen monofluoride |
rFO |
1.354 |
1.450 |
0.095 |
ClF |
Chlorine monofluoride |
rFCl |
1.628 |
1.724 |
0.095 |
ClF |
Chlorine monofluoride |
rFCl |
1.628 |
1.724 |
0.095 |
ClF3 |
Chlorine trifluoride |
rFCl |
1.697 |
1.792 |
0.095 |
ClF3 |
Chlorine trifluoride |
rFCl |
1.697 |
1.792 |
0.095 |
Cl2 |
Chlorine diatomic |
rClCl |
1.988 |
2.083 |
0.095 |
C2H4O |
Ethylene oxide |
rCO |
1.425 |
1.520 |
0.095 |
BrO |
Bromine monoxide |
rOBr |
1.718 |
1.812 |
0.095 |
SFCl |
Sulfur chloride fluoride |
rSCl |
1.994 |
2.089 |
0.095 |
C2H4O |
Ethylene oxide |
rCO |
1.425 |
1.520 |
0.095 |
CCl |
carbon monochloride |
rCCl |
1.649 |
1.744 |
0.095 |
CCl |
carbon monochloride |
rCCl |
1.649 |
1.744 |
0.095 |
N2O4 |
Dinitrogen tetroxide |
rNN |
1.782 |
1.876 |
0.094 |
N2O3 |
Dinitrogen trioxide |
rNN |
1.864 |
1.958 |
0.094 |
KOH |
Potassium hydroxide |
rOH |
0.912 |
1.006 |
0.094 |
NF |
nitrogen fluoride |
rNF |
1.317 |
1.410 |
0.093 |
S2N2 |
Disulfur dinitride |
rNS |
1.642 |
1.735 |
0.093 |
KCl |
Potassium Chloride |
rKCl |
2.667 |
2.759 |
0.092 |
TeO |
Tellurium monoxide |
rOTe |
1.825 |
1.917 |
0.092 |
C2 |
Carbon diatomic |
rCC |
1.243 |
1.334 |
0.091 |
C2 |
Carbon diatomic |
rCC |
1.243 |
1.334 |
0.091 |
BrO+ |
Bromine monoxide cation |
rOBr |
1.635 |
1.726 |
0.091 |
ClFO3 |
Perchloryl fluoride |
rClO |
1.400 |
1.491 |
0.091 |
CH2O2 |
Dioxirane |
rCO |
1.388 |
1.479 |
0.091 |
CH2ClCHCHCH3 |
2-Butene, 1-chloro- |
rCCl |
1.807 |
1.898 |
0.091 |
CH2N2 |
diazirine |
rCN |
1.482 |
1.572 |
0.090 |
C3H8O2 |
1,3-Propanediol |
rCO |
1.410 |
1.500 |
0.090 |
CaF |
Calcium monofluoride |
rFCa |
1.967 |
2.056 |
0.089 |
C3H6O |
Propylene oxide |
rCO |
1.436 |
1.525 |
0.089 |
CH2O2 |
Dioxirane |
rOO |
1.516 |
1.604 |
0.088 |
NF2 |
Difluoroamino radical |
rNF |
1.370 |
1.458 |
0.088 |
NF2 |
Difluoroamino radical |
rNF |
1.370 |
1.458 |
0.088 |
CH2CHCHClCH3 |
1-Butene, 3-chloro- |
rCCl |
1.813 |
1.901 |
0.088 |
C4H8O2 |
Ethyl acetate |
rCO |
1.448 |
1.536 |
0.088 |
Si2H2 |
disilyne |
rSiSi |
2.215 |
2.128 |
-0.088 |
SbCl3 |
Antimony Trichloride |
rSbCl |
2.333 |
2.420 |
0.087 |
CH3NO |
nitrosomethane |
rCN |
1.482 |
1.569 |
0.087 |
NH2F |
monofluoroamine |
rNF |
1.433 |
1.520 |
0.087 |
HO2 |
Hydroperoxy radical |
rOO |
1.331 |
1.417 |
0.087 |
NCl |
nitrogen monochloride |
rNCl |
1.611 |
1.697 |
0.087 |
NO3 |
Nitrogen trioxide |
rNO |
1.238 |
1.324 |
0.087 |
CH3CHClCH3 |
Propane, 2-chloro- |
rCCl |
1.798 |
1.884 |
0.086 |
CH3CHClCH3 |
Propane, 2-chloro- |
rCCl |
1.798 |
1.884 |
0.086 |
CH2BrF |
Methane, bromofluoro- |
rCBr |
1.915 |
2.001 |
0.086 |
OPCl |
Phosphorus oxychloride |
rPCl |
2.059 |
2.144 |
0.086 |
N2 |
Nitrogen diatomic |
rNN |
1.213 |
1.127 |
-0.086 |
N2 |
Nitrogen diatomic |
rNN |
1.213 |
1.127 |
-0.086 |
N2 |
Nitrogen diatomic |
rNN |
1.213 |
1.127 |
-0.086 |
N2 |
Nitrogen diatomic |
rNN |
1.213 |
1.127 |
-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 |
C2H3NO |
Nitrosoethylene |
rNO |
1.220 |
1.305 |
0.085 |
CF2Cl2 |
difluorodichloromethane |
rCCl |
1.744 |
1.829 |
0.085 |
CF2Cl2 |
difluorodichloromethane |
rCCl |
1.744 |
1.829 |
0.085 |
SO |
Sulfur monoxide |
rSO |
1.481 |
1.566 |
0.085 |
SO |
Sulfur monoxide |
rSO |
1.481 |
1.566 |
0.085 |
SO |
Sulfur monoxide |
rSO |
1.481 |
1.566 |
0.085 |
SO |
Sulfur monoxide |
rSO |
1.481 |
1.566 |
0.085 |
SO |
Sulfur monoxide |
rSO |
1.481 |
1.566 |
0.085 |
SO |
Sulfur monoxide |
rSO |
1.481 |
1.566 |
0.085 |
SO |
Sulfur monoxide |
rSO |
1.481 |
1.566 |
0.085 |
SO |
Sulfur monoxide |
rSO |
1.481 |
1.566 |
0.085 |
H2O2 |
Hydrogen peroxide |
rOO |
1.475 |
1.560 |
0.085 |
H2O2 |
Hydrogen peroxide |
rOO |
1.475 |
1.560 |
0.085 |
H2O2 |
Hydrogen peroxide |
rOO |
1.475 |
1.560 |
0.085 |
H2O2 |
Hydrogen peroxide |
rOO |
1.475 |
1.560 |
0.085 |
SOF4 |
Sulfur tetrafluoride oxide |
rFS |
1.539 |
1.624 |
0.085 |
SO |
Sulfur monoxide |
rSO |
1.481 |
1.566 |
0.085 |
SO |
Sulfur monoxide |
rSO |
1.481 |
1.566 |
0.085 |
CH2ClCH2CH2CH3 |
Butane, 1-chloro- |
rCCl |
1.780 |
1.864 |
0.084 |
Si2H2 |
disilyne |
rSiH |
1.668 |
1.752 |
0.084 |
C6H5NO2 |
Nitrobenzene |
rNO |
1.223 |
1.307 |
0.084 |
NO2 |
Nitrogen dioxide |
rNO |
1.193 |
1.278 |
0.084 |
NO2 |
Nitrogen dioxide |
rNO |
1.193 |
1.278 |
0.084 |
NO2 |
Nitrogen dioxide |
rNO |
1.193 |
1.278 |
0.084 |
I2 |
Iodine diatomic |
rII |
2.665 |
2.750 |
0.084 |
I2 |
Iodine diatomic |
rII |
2.665 |
2.750 |
0.084 |
CH3I |
methyl iodide |
rCI |
2.136 |
2.220 |
0.084 |
CH3I |
methyl iodide |
rCI |
2.136 |
2.220 |
0.084 |
CH2ClI |
chloroiodomethane |
rCI |
2.137 |
2.221 |
0.084 |
ClOF3 |
Chlorine trifluoride oxide |
rFCl |
1.713 |
1.797 |
0.084 |
NaF |
sodium fluoride |
rNaF |
1.926 |
1.842 |
-0.084 |
NaF |
sodium fluoride |
rNaF |
1.926 |
1.842 |
-0.084 |
AlN |
Aluminum nitride |
rNAl |
1.786 |
1.703 |
-0.084 |
CH3SOCH3 |
Dimethyl sulfoxide |
rCS |
1.799 |
1.882 |
0.083 |
GaCl |
Gallium monochloride |
rClGa |
2.202 |
2.285 |
0.083 |
NaOH |
sodium hydroxide |
rNaO |
1.950 |
1.867 |
-0.083 |
CI4 |
tetraiodomethane |
rCI |
2.157 |
2.240 |
0.083 |
SeO |
Selenium monoxide |
rSeO |
1.639 |
1.722 |
0.083 |
C3H5ClO |
Oxirane, (chloromethyl)- |
rCO |
1.442 |
1.525 |
0.083 |
GaCl |
Gallium monochloride |
rClGa |
2.202 |
2.284 |
0.083 |
SeO |
Selenium monoxide |
rSeO |
1.639 |
1.722 |
0.083 |
SeO |
Selenium monoxide |
rSeO |
1.639 |
1.722 |
0.083 |
FNO2 |
Nitryl fluoride |
rNF |
1.467 |
1.550 |
0.083 |
PCl5 |
Phosphorus pentachloride |
rPCl |
2.124 |
2.206 |
0.082 |
CaOH |
Calcium monohydroxide |
rOCa |
1.976 |
2.058 |
0.082 |
Cl2+ |
chlorine diatomic cation |
rClCl |
1.892 |
1.973 |
0.082 |
Cl2+ |
chlorine diatomic cation |
rClCl |
1.892 |
1.973 |
0.082 |
KH |
Potassium hydride |
rKH |
2.243 |
2.324 |
0.082 |
KH |
Potassium hydride |
rKH |
2.243 |
2.324 |
0.082 |
CH3CHCl2 |
Ethane, 1,1-dichloro- |
rCCl |
1.766 |
1.847 |
0.081 |
SCl2 |
Sulfur dichloride |
rSCl |
2.013 |
2.094 |
0.081 |
SCl2 |
Sulfur dichloride |
rSCl |
2.013 |
2.094 |
0.081 |
ClCOClCO |
Oxalyl chloride |
rCCl |
1.744 |
1.825 |
0.081 |
NeH+ |
neon hydrogen cation |
rNeH |
0.991 |
1.071 |
0.080 |
HOI |
Hypoiodous acid |
rOI |
1.994 |
2.074 |
0.080 |
SF4 |
Sulfur tetrafluoride |
rSF |
1.545 |
1.625 |
0.080 |
SF4 |
Sulfur tetrafluoride |
rSF |
1.545 |
1.625 |
0.080 |
PO- |
phosphorus monoxide anion |
rOP |
1.540 |
1.620 |
0.080 |
C2H5N |
Aziridine |
rCN |
1.475 |
1.554 |
0.079 |
H2SO4 |
Sulfuric acid |
rSO |
1.574 |
1.653 |
0.079 |
HOBr |
Hypobromous acid |
rBrO |
1.834 |
1.913 |
0.079 |
HOBr |
Hypobromous acid |
rBrO |
1.834 |
1.913 |
0.079 |
N2O3 |
Dinitrogen trioxide |
rNO |
1.202 |
1.281 |
0.079 |
K2 |
Potassium diatomic |
rKK |
3.905 |
3.984 |
0.079 |
SO2F2 |
Sulfuryl fluoride |
rFS |
1.530 |
1.609 |
0.079 |
CF2 |
Difluoromethylene |
rCF |
1.297 |
1.375 |
0.078 |
SiP |
Silicon monophosphide |
rSiP |
2.078 |
2.000 |
-0.078 |
SeF4 |
Selenium tetrafluoride |
rFSe |
1.682 |
1.760 |
0.078 |
C3H2O3 |
vinylene carbonate |
rCO |
1.364 |
1.441 |
0.077 |
KrF2 |
Krypton difluoride |
rFKr |
1.875 |
1.952 |
0.077 |
HClO4 |
perchloric acid |
rOCl |
1.414 |
1.491 |
0.077 |
CF2 |
Difluoromethylene |
rCF |
1.297 |
1.374 |
0.077 |
CF2 |
Difluoromethylene |
rCF |
1.297 |
1.374 |
0.077 |
C2H2+ |
acetylene cation |
rCC |
1.253 |
1.330 |
0.077 |
CH3CH2Cl |
Ethyl chloride |
rCCl |
1.789 |
1.865 |
0.076 |
CH2I2 |
Diiodomethane |
rCI |
2.135 |
2.211 |
0.076 |
CH3NO3 |
Methyl nitrate |
rNO |
1.205 |
1.281 |
0.076 |
CH3NO2 |
Methane, nitro- |
rNO |
1.224 |
1.300 |
0.076 |
CH3NO2 |
Methane, nitro- |
rNO |
1.224 |
1.300 |
0.076 |
HOSH |
hydrogen thioperoxide |
rSO |
1.662 |
1.737 |
0.076 |
HOF |
Hypofluorous acid |
rFO |
1.442 |
1.518 |
0.076 |
HOF |
Hypofluorous acid |
rFO |
1.442 |
1.517 |
0.075 |
CH2BrCl |
Methane, bromochloro- |
rCCl |
1.755 |
1.830 |
0.075 |
CF3Cl |
Methane, chlorotrifluoro- |
rCCl |
1.752 |
1.827 |
0.075 |
CF3Cl |
Methane, chlorotrifluoro- |
rCCl |
1.752 |
1.827 |
0.075 |
GeCl |
Germanium monochloride |
rClGe |
2.164 |
2.238 |
0.074 |
CH3CCl3 |
Ethane, 1,1,1-trichloro- |
rCCl |
1.767 |
1.841 |
0.074 |
HNO3 |
Nitric acid |
rNO |
1.211 |
1.285 |
0.074 |
HNO3 |
Nitric acid |
rNO |
1.211 |
1.285 |
0.074 |
C2H5NO3 |
Nitric acid, ethyl ester |
rCO |
1.430 |
1.504 |
0.074 |
FNO3 |
Fluorine nitrate |
rFO |
1.409 |
1.483 |
0.074 |
SeO2 |
Selenium dioxide |
rSeO |
1.607 |
1.681 |
0.074 |
SeO2 |
Selenium dioxide |
rSeO |
1.607 |
1.681 |
0.074 |
CCl2O |
Phosgene |
rCCl |
1.737 |
1.810 |
0.074 |
GeCl |
Germanium monochloride |
rClGe |
2.164 |
2.238 |
0.074 |
AsF5 |
Arsenic pentafluoride |
rAsF |
1.656 |
1.730 |
0.074 |
HF+ |
hydrogen fluoride cation |
rHF |
1.014 |
1.088 |
0.073 |
HF+ |
hydrogen fluoride cation |
rHF |
1.014 |
1.088 |
0.073 |
C4H6 |
1-Methylcyclopropene |
rCC |
1.476 |
1.549 |
0.073 |
FNO2 |
Nitryl fluoride |
rNO |
1.180 |
1.253 |
0.073 |
HN3 |
hydrogen azide |
rNH |
0.975 |
1.047 |
0.072 |
C4H8O2 |
1,3-Dioxane |
rCO |
1.393 |
1.465 |
0.072 |
C3H4N2 |
1H-Pyrazole |
rNN |
1.351 |
1.423 |
0.072 |
N2O4 |
Dinitrogen tetroxide |
rNO |
1.190 |
1.262 |
0.072 |
HN3 |
hydrogen azide |
rNH |
0.975 |
1.047 |
0.072 |
HNO |
Nitrosyl hydride |
rNO |
1.209 |
1.281 |
0.072 |
GaH |
Gallium monohydride |
rGaH |
1.663 |
1.735 |
0.072 |
HCF |
Fluoromethylene |
rCF |
1.305 |
1.377 |
0.072 |
HNO |
Nitrosyl hydride |
rNO |
1.209 |
1.281 |
0.072 |
CH2ClCH2CH3 |
Propane, 1-chloro- |
rCCl |
1.796 |
1.868 |
0.072 |
CH2ClCH2CH3 |
Propane, 1-chloro- |
rCCl |
1.796 |
1.868 |
0.072 |
CH2ClCH2CH3 |
Propane, 1-chloro- |
rCCl |
1.796 |
1.868 |
0.072 |
CH2ClCH2CH3 |
Propane, 1-chloro- |
rCCl |
1.796 |
1.868 |
0.072 |
CH2CHCH2F |
Allyl Fluoride |
rCF |
1.370 |
1.441 |
0.071 |
CH2CHCH2F |
Allyl Fluoride |
rCF |
1.370 |
1.441 |
0.071 |
CH2CHCH2CH2Cl |
1-Butene, 4-chloro- |
rCCl |
1.794 |
1.865 |
0.071 |
FNO |
Nitrosyl fluoride |
rNO |
1.136 |
1.207 |
0.071 |
FNO |
Nitrosyl fluoride |
rNO |
1.136 |
1.207 |
0.071 |
OH+ |
hydoxyl cation |
rOH |
1.029 |
1.100 |
0.071 |
OH+ |
hydoxyl cation |
rOH |
1.029 |
1.100 |
0.071 |
OH+ |
hydoxyl cation |
rOH |
1.029 |
1.100 |
0.071 |
CH3NO |
nitrosomethane |
rNO |
1.211 |
1.282 |
0.071 |
GaH |
Gallium monohydride |
rGaH |
1.663 |
1.734 |
0.071 |
CF |
Fluoromethylidyne |
rCF |
1.276 |
1.347 |
0.071 |
CF |
Fluoromethylidyne |
rCF |
1.276 |
1.347 |
0.071 |
CH3OC2H5 |
Ethane, methoxy- |
rCO |
1.407 |
1.477 |
0.070 |
SF2 |
sulfur difluoride |
rSF |
1.587 |
1.657 |
0.070 |
SF2 |
sulfur difluoride |
rSF |
1.587 |
1.657 |
0.070 |
NaBr |
Sodium Bromide |
rNaBr |
2.502 |
2.432 |
-0.070 |
CH2ClCHClCH3 |
Propane, 1,2-dichloro- |
rCCl |
1.793 |
1.863 |
0.070 |
CH3OCHO |
methyl formate |
rCO |
1.437 |
1.507 |
0.070 |
BrF |
Bromine monofluoride |
rFBr |
1.759 |
1.828 |
0.069 |
BrF |
Bromine monofluoride |
rFBr |
1.759 |
1.828 |
0.069 |
C5H8 |
Bicyclo[2.1.0]pentane |
rCC |
1.507 |
1.576 |
0.069 |
C3H8O2 |
Methane, dimethoxy- |
rCO |
1.382 |
1.451 |
0.069 |
CH2N2 |
diazirine |
rNN |
1.228 |
1.297 |
0.069 |
FCO |
Carbonyl fluoride |
rCF |
1.326 |
1.395 |
0.069 |
CBr |
Carbon monobromide |
rCBr |
1.821 |
1.890 |
0.069 |
C3H5ClO |
Oxirane, (chloromethyl)- |
rCCl |
1.798 |
1.867 |
0.069 |
C4H2O3 |
Maleic Anhydride |
rCO |
1.386 |
1.455 |
0.069 |
CHOOCHO |
diformyl ether |
rCO |
1.364 |
1.433 |
0.069 |
F2SO |
Thionyl Fluoride |
rFS |
1.585 |
1.654 |
0.069 |
FNO3 |
Fluorine nitrate |
rNO |
1.184 |
1.253 |
0.069 |
FSN |
Thiazyl fluoride |
rFS |
1.643 |
1.712 |
0.069 |
NSe |
Nitrogen monoselenide |
rNSe |
1.652 |
1.720 |
0.069 |
CH2ClCH2Cl |
Ethane, 1,2-dichloro- |
rCCl |
1.790 |
1.858 |
0.068 |
CH2ClCH2Cl |
Ethane, 1,2-dichloro- |
rCCl |
1.790 |
1.858 |
0.068 |
SSO |
Disulfur monoxide |
rSO |
1.456 |
1.524 |
0.068 |
SSO |
Disulfur monoxide |
rSO |
1.456 |
1.524 |
0.068 |
C4H10O |
Propane, 2-methoxy- |
rCO |
1.422 |
1.490 |
0.068 |
SCl |
sulfur monochloride |
rSCl |
1.975 |
2.043 |
0.068 |
CH2ClCH2CH3 |
Propane, 1-chloro- |
rCCl |
1.796 |
1.864 |
0.068 |
CH2ClCH2CH3 |
Propane, 1-chloro- |
rCCl |
1.796 |
1.864 |
0.068 |
CH2ClCH2CH3 |
Propane, 1-chloro- |
rCCl |
1.796 |
1.864 |
0.068 |
CH2ClCH2CH3 |
Propane, 1-chloro- |
rCCl |
1.796 |
1.864 |
0.068 |
SCl |
sulfur monochloride |
rSCl |
1.975 |
2.043 |
0.068 |
SCl |
sulfur monochloride |
rSCl |
1.975 |
2.043 |
0.068 |
C2H2ClF |
1-chloro-1-fluoroethylene |
rCCl |
1.704 |
1.772 |
0.068 |
C2H5NO3 |
Nitric acid, ethyl ester |
rNO |
1.215 |
1.283 |
0.068 |
SO3 |
Sulfur trioxide |
rSO |
1.418 |
1.485 |
0.067 |
SO3 |
Sulfur trioxide |
rSO |
1.418 |
1.485 |
0.067 |
C3F8 |
perfluoropropane |
rCF |
1.330 |
1.397 |
0.067 |
CH2C(CH3)OCH3 |
1-Propene, 2-methoxy- |
rCO |
1.353 |
1.420 |
0.067 |
BrCl |
Bromine monochloride |
rClBr |
2.136 |
2.203 |
0.067 |
BrCl |
Bromine monochloride |
rClBr |
2.136 |
2.203 |
0.067 |
HF |
Hydrogen fluoride |
rHF |
0.917 |
0.984 |
0.067 |
HF |
Hydrogen fluoride |
rHF |
0.917 |
0.984 |
0.067 |
DF |
Hydrofluoric acid-d |
rDF |
0.917 |
0.984 |
0.066 |
B2 |
Boron diatomic |
rBB |
1.590 |
1.656 |
0.066 |
CH2ClCHCl2 |
1,1,2-trichloroethane |
rCCl |
1.776 |
1.842 |
0.066 |
H2O2 |
Hydrogen peroxide |
rOH |
0.950 |
1.016 |
0.066 |
H2O2 |
Hydrogen peroxide |
rOH |
0.950 |
1.016 |
0.066 |
H2O2 |
Hydrogen peroxide |
rOH |
0.950 |
1.016 |
0.066 |
H2O2 |
Hydrogen peroxide |
rOH |
0.950 |
1.016 |
0.066 |
SO |
Sulfur monoxide |
rOS |
1.500 |
1.566 |
0.066 |
SO |
Sulfur monoxide |
rOS |
1.500 |
1.566 |
0.066 |
CH3CCl2CH3 |
Propane, 2,2-dichloro- |
rCCl |
1.799 |
1.865 |
0.066 |
CH3CCl2CH3 |
Propane, 2,2-dichloro- |
rCCl |
1.799 |
1.865 |
0.066 |
SO |
Sulfur monoxide |
rOS |
1.500 |
1.566 |
0.066 |
SO |
Sulfur monoxide |
rOS |
1.500 |
1.566 |
0.066 |
SO |
Sulfur monoxide |
rOS |
1.500 |
1.566 |
0.066 |
SO |
Sulfur monoxide |
rOS |
1.500 |
1.566 |
0.066 |
SO |
Sulfur monoxide |
rOS |
1.500 |
1.566 |
0.066 |
SO |
Sulfur monoxide |
rOS |
1.500 |
1.566 |
0.066 |
CH2C(CH3)OCH3 |
1-Propene, 2-methoxy- |
rCO |
1.416 |
1.482 |
0.066 |
XeF4 |
Xenon tetrafluoride |
rFXe |
1.935 |
2.000 |
0.066 |
FSSF |
Difluorodisulfane |
rFS |
1.635 |
1.701 |
0.066 |
SO |
Sulfur monoxide |
rOS |
1.500 |
1.566 |
0.066 |
SO |
Sulfur monoxide |
rOS |
1.500 |
1.566 |
0.066 |
CH2ClCHO |
chloroacetaldehyde |
rCCl |
1.782 |
1.847 |
0.065 |
C4H10O |
Ethoxy ethane |
rCO |
1.411 |
1.476 |
0.065 |
C4H6S |
Thiophene, 2,5-dihydro- |
rCS |
1.816 |
1.881 |
0.065 |
SF |
Monosulfur monofluoride |
rSF |
1.599 |
1.665 |
0.065 |
SF |
Monosulfur monofluoride |
rSF |
1.599 |
1.665 |
0.065 |
SO2Cl2 |
Sulfuryl chloride |
rSCl |
2.076 |
2.141 |
0.065 |
CH2CHCH2F |
Allyl Fluoride |
rCF |
1.370 |
1.435 |
0.065 |
CH2CHCH2F |
Allyl Fluoride |
rCF |
1.370 |
1.435 |
0.065 |
CH3ONO |
Methyl nitrite |
rNO |
1.182 |
1.247 |
0.065 |
BeCl2 |
Beryllium chloride |
rBeCl |
1.750 |
1.815 |
0.065 |
NO |
Nitric oxide |
rNO |
1.154 |
1.219 |
0.065 |
NO |
Nitric oxide |
rNO |
1.154 |
1.219 |
0.065 |
NO |
Nitric oxide |
rNO |
1.154 |
1.219 |
0.065 |
CFCl3 |
Trichloromonofluoromethane |
rCCl |
1.764 |
1.829 |
0.065 |
HNO3 |
Nitric acid |
rNO |
1.199 |
1.264 |
0.065 |
HNO3 |
Nitric acid |
rNO |
1.199 |
1.264 |
0.065 |
HSSSH |
trisulfane |
rSS |
2.053 |
2.118 |
0.065 |
HSSSH |
trisulfane |
rSS |
2.053 |
2.118 |
0.065 |
SO2 |
Sulfur dioxide |
rSO |
1.432 |
1.497 |
0.064 |
SO2 |
Sulfur dioxide |
rSO |
1.432 |
1.496 |
0.064 |
CH3SSH |
Hydrogen methyl disulfide |
rSS |
2.038 |
2.102 |
0.064 |
IF |
Iodine monofluoride |
rFI |
1.910 |
1.974 |
0.064 |
OH |
Hydroxyl radical |
rOH |
0.970 |
1.033 |
0.064 |
OH |
Hydroxyl radical |
rOH |
0.970 |
1.033 |
0.064 |
XeF2 |
Xenon difluoride |
rFXe |
1.974 |
2.038 |
0.064 |
DO |
Hydroxyl-d |
rDO |
0.970 |
1.033 |
0.064 |
CH3OCHO |
methyl formate |
rCO |
1.334 |
1.398 |
0.064 |
HSSSH |
trisulfane |
rSS |
2.053 |
2.117 |
0.064 |
HSSSH |
trisulfane |
rSS |
2.053 |
2.117 |
0.064 |
HSSSH |
trisulfane |
rSS |
2.054 |
2.118 |
0.064 |
HSSSH |
trisulfane |
rSS |
2.054 |
2.118 |
0.064 |
CH3COF |
Acetyl fluoride |
rCF |
1.348 |
1.411 |
0.063 |
F2 |
Fluorine diatomic |
rFF |
1.412 |
1.475 |
0.063 |
F2 |
Fluorine diatomic |
rFF |
1.412 |
1.475 |
0.063 |
PCl3 |
Phosphorus trichloride |
rPCl |
2.043 |
2.106 |
0.063 |
FNO |
Nitrosyl fluoride |
rNF |
1.512 |
1.575 |
0.063 |
HOF |
Hypofluorous acid |
rOH |
0.960 |
1.023 |
0.063 |
CaOH |
Calcium monohydroxide |
rOH |
0.930 |
0.993 |
0.063 |
CBrCl3 |
Methane, bromotrichloro- |
rCCl |
1.765 |
1.828 |
0.063 |
HSSSH |
trisulfane |
rSS |
2.054 |
2.117 |
0.063 |
HSSSH |
trisulfane |
rSS |
2.054 |
2.117 |
0.063 |
FNO |
Nitrosyl fluoride |
rNF |
1.512 |
1.575 |
0.063 |
HOF |
Hypofluorous acid |
rOH |
0.960 |
1.023 |
0.063 |
BrNO |
Nitrosyl bromide |
rNO |
1.146 |
1.209 |
0.063 |
ClF5 |
chlorinepentafluoride |
rFCl |
1.650 |
1.713 |
0.063 |
N2O3 |
Dinitrogen trioxide |
rNO |
1.142 |
1.205 |
0.063 |
Cl3PO |
Phosphoryl chloride |
rPCl |
1.989 |
2.051 |
0.062 |
HCNO |
fulminic acid |
rNO |
1.199 |
1.261 |
0.062 |
HCNO |
fulminic acid |
rNO |
1.199 |
1.261 |
0.062 |
HCNO |
fulminic acid |
rNO |
1.199 |
1.261 |
0.062 |
HCNO |
fulminic acid |
rNO |
1.199 |
1.261 |
0.062 |
HNO2 |
Nitrous acid |
rNO |
1.169 |
1.231 |
0.062 |
PF+ |
phosphorus monofluoride cation |
rFP |
1.500 |
1.562 |
0.062 |
CH2Cl2 |
Methylene chloride |
rCCl |
1.767 |
1.829 |
0.062 |
N2O |
Nitrous oxide |
rNO |
1.184 |
1.246 |
0.062 |
N2O |
Nitrous oxide |
rNO |
1.184 |
1.246 |
0.062 |
N2O |
Nitrous oxide |
rNO |
1.184 |
1.246 |
0.062 |
HCF |
Fluoromethylene |
rCF |
1.305 |
1.367 |
0.062 |
CH2Cl2 |
Methylene chloride |
rCCl |
1.767 |
1.829 |
0.062 |
HCF |
Fluoromethylene |
rCF |
1.305 |
1.367 |
0.062 |
CHCl3 |
Chloroform |
rCCl |
1.762 |
1.824 |
0.062 |
CHCl3 |
Chloroform |
rCCl |
1.762 |
1.824 |
0.062 |
Cu2 |
Copper diatomic |
rCuCu |
2.220 |
2.281 |
0.062 |
S8 |
Octasulfur |
rSS |
2.059 |
2.120 |
0.061 |
HOCH2COOH |
Hydroxyacetic acid |
rOH |
0.956 |
1.017 |
0.061 |
C4H8O2 |
Ethyl acetate |
rCO |
1.345 |
1.406 |
0.061 |
AsCl3 |
Arsenous trichloride |
rClAs |
2.166 |
2.227 |
0.061 |
C6H5Cl |
chlorobenzene |
rCCl |
1.725 |
1.786 |
0.061 |
F2SO |
Thionyl Fluoride |
rOS |
1.413 |
1.473 |
0.061 |
CH3OCH3 |
Dimethyl ether |
rCO |
1.411 |
1.471 |
0.060 |
CH3OCH3 |
Dimethyl ether |
rCO |
1.411 |
1.471 |
0.060 |
C2F6 |
hexafluoroethane |
rCF |
1.320 |
1.380 |
0.060 |
CH2CCl2 |
Ethene, 1,1-dichloro- |
rCCl |
1.710 |
1.770 |
0.060 |
CH3Cl |
Methyl chloride |
rCCl |
1.785 |
1.846 |
0.060 |
SO+ |
sulfur monoxide cation |
rOS |
1.424 |
1.484 |
0.060 |
SO+ |
sulfur monoxide cation |
rOS |
1.424 |
1.484 |
0.060 |
N2H4 |
Hydrazine |
rNN |
1.446 |
1.506 |
0.060 |
N2H4 |
Hydrazine |
rNN |
1.446 |
1.506 |
0.060 |
BHCl2 |
Borane, dichloro- |
rBH |
1.130 |
1.190 |
0.060 |
CH3Cl |
Methyl chloride |
rCCl |
1.785 |
1.845 |
0.060 |
CH3Cl |
Methyl chloride |
rCCl |
1.785 |
1.845 |
0.060 |
CCl4 |
Carbon tetrachloride |
rCCl |
1.767 |
1.827 |
0.060 |
CCl4 |
Carbon tetrachloride |
rCCl |
1.767 |
1.827 |
0.060 |
SSO |
Disulfur monoxide |
rSS |
1.884 |
1.944 |
0.060 |
SiC |
silicon monocarbide |
rCSi |
1.722 |
1.662 |
-0.060 |
SiC |
silicon monocarbide |
rCSi |
1.722 |
1.662 |
-0.060 |
CH3NO3 |
Methyl nitrate |
rNO |
1.208 |
1.268 |
0.060 |
HNO2 |
Nitrous acid |
rOH |
0.959 |
1.018 |
0.059 |
CH2CHCH2F |
Allyl Fluoride |
rCF |
1.382 |
1.441 |
0.059 |
CH2CHCH2F |
Allyl Fluoride |
rCF |
1.382 |
1.441 |
0.059 |
Ne2+ |
Neon diatomic cation |
rNeNe |
1.765 |
1.824 |
0.059 |
F3NO |
Nitrogen trifluoride oxide |
rNO |
1.158 |
1.217 |
0.059 |
SSO |
Disulfur monoxide |
rSS |
1.884 |
1.943 |
0.059 |
SFCl |
Sulfur chloride fluoride |
rFS |
1.606 |
1.665 |
0.059 |
CH2CClCHCH2 |
1,3-Butadiene, 2-chloro- |
rCCl |
1.742 |
1.801 |
0.059 |
H2O3 |
Hydrogen trioxide |
rOH |
0.963 |
1.022 |
0.059 |
C2H6O2 |
1,2-Ethanediol |
rOH |
0.950 |
1.009 |
0.059 |
PCl5 |
Phosphorus pentachloride |
rPCl |
2.020 |
2.079 |
0.059 |
C2H4S |
Thiirane |
rCS |
1.815 |
1.873 |
0.058 |
C2H4S |
Thiirane |
rCS |
1.815 |
1.873 |
0.058 |
CF2O |
Carbonic difluoride |
rCF |
1.312 |
1.370 |
0.058 |
CH3SCH2CH3 |
Ethane, (methylthio)- |
rCS |
1.804 |
1.862 |
0.058 |
C4H6O2 |
2,3-Butanedione |
rCC |
1.507 |
1.565 |
0.058 |
CF2O |
Carbonic difluoride |
rCF |
1.312 |
1.370 |
0.058 |
HOBr |
Hypobromous acid |
rOH |
0.961 |
1.019 |
0.058 |
HOBr |
Hypobromous acid |
rOH |
0.961 |
1.019 |
0.058 |
GeCl2 |
Germanium dichloride |
rClGe |
2.186 |
2.244 |
0.058 |
HPO |
Hydrogen phosphorus oxide |
rPH |
1.433 |
1.491 |
0.058 |
HFCO |
formyl fluoride |
rCF |
1.338 |
1.396 |
0.058 |
ClNO |
Nitrosyl chloride |
rNO |
1.139 |
1.197 |
0.058 |
CH2 |
Methylene |
rCH |
1.085 |
1.143 |
0.058 |
CH2 |
Methylene |
rCH |
1.085 |
1.143 |
0.058 |
CH2 |
Methylene |
rCH |
1.085 |
1.143 |
0.058 |
CH2 |
Methylene |
rCH |
1.085 |
1.143 |
0.058 |
HCOOH |
Formic acid |
rCO |
1.343 |
1.401 |
0.058 |
C4H4O |
Furan |
rCO |
1.362 |
1.420 |
0.058 |
IBr |
Iodine monobromide |
rBrI |
2.469 |
2.527 |
0.058 |
NH |
Imidogen |
rNH |
1.034 |
1.092 |
0.058 |
NH |
Imidogen |
rNH |
1.034 |
1.092 |
0.058 |
C4H4O |
Furan |
rCO |
1.362 |
1.420 |
0.058 |
C5H8O |
Cyclopentanone |
rCC |
1.504 |
1.562 |
0.058 |
HCO |
Formyl radical |
rCH |
1.080 |
1.138 |
0.058 |
HCO |
Formyl radical |
rCH |
1.080 |
1.137 |
0.057 |
HCO |
Formyl radical |
rCH |
1.080 |
1.137 |
0.057 |
CHF3 |
Methane, trifluoro- |
rCF |
1.328 |
1.386 |
0.057 |
ClNO |
Nitrosyl chloride |
rNO |
1.139 |
1.196 |
0.057 |
SbH3 |
Stibine |
rSbH |
1.700 |
1.757 |
0.057 |
CHF3 |
Methane, trifluoro- |
rCF |
1.328 |
1.386 |
0.057 |
LiS |
Lithium monosulfide |
rLiS |
2.150 |
2.207 |
0.057 |
CH2SHCH2SH |
1,2-Ethanedithiol |
rCS |
1.819 |
1.876 |
0.057 |
HNO3 |
Nitric acid |
rOH |
0.964 |
1.021 |
0.057 |
HNO3 |
Nitric acid |
rOH |
0.964 |
1.021 |
0.057 |
CH3SSCH3 |
Disulfide, dimethyl |
rCS |
1.810 |
1.867 |
0.057 |
CHF2CHF2 |
1,1,2,2-tetrafluoroethane |
rCF |
1.348 |
1.405 |
0.057 |
CHF2CHF2 |
1,1,2,2-tetrafluoroethane |
rCF |
1.348 |
1.405 |
0.057 |
CH2F2 |
Methane, difluoro- |
rCF |
1.351 |
1.408 |
0.057 |
C2H6O2S |
Dimethyl sulfone |
rSO |
1.431 |
1.488 |
0.057 |
C2H6O2S |
Dimethyl sulfone |
rSO |
1.431 |
1.488 |
0.057 |
CH3ONO |
Methyl nitrite |
rCO |
1.437 |
1.494 |
0.057 |
CH2F2 |
Methane, difluoro- |
rCF |
1.351 |
1.407 |
0.057 |
CH2ClCH2Cl |
Ethane, 1,2-dichloro- |
rCCl |
1.790 |
1.847 |
0.057 |
CH2ClCH2Cl |
Ethane, 1,2-dichloro- |
rCCl |
1.790 |
1.847 |
0.057 |
GeO |
Germanium monoxide |
rOGe |
1.625 |
1.681 |
0.057 |
CF3OF |
Trifluoromethylhypofluorite |
rCF |
1.319 |
1.376 |
0.057 |
CF3OF |
Trifluoromethylhypofluorite |
rCF |
1.319 |
1.376 |
0.057 |
GeO |
Germanium monoxide |
rOGe |
1.625 |
1.681 |
0.056 |
C3H6S3 |
1,3,5-Trithiane |
rCS |
1.801 |
1.857 |
0.056 |
N2O3 |
Dinitrogen trioxide |
rNO |
1.217 |
1.273 |
0.056 |
HOSH |
hydrogen thioperoxide |
rOH |
0.961 |
1.017 |
0.056 |
Zn(CH3)2 |
dimethyl zinc |
rZnC |
1.930 |
1.874 |
-0.056 |
CH3OC2H5 |
Ethane, methoxy- |
rCO |
1.415 |
1.471 |
0.056 |
PO2 |
Phosphorus dioxide |
rPO |
1.467 |
1.522 |
0.056 |
Si2 |
Silicon diatomic |
rSiSi |
2.246 |
2.302 |
0.056 |
C3O2 |
Carbon suboxide |
rCO |
1.146 |
1.202 |
0.056 |
GeF4 |
Germanium tetrafluoride |
rFGe |
1.670 |
1.726 |
0.056 |
C3O2 |
Carbon suboxide |
rCO |
1.146 |
1.202 |
0.056 |
TeH |
Telluryl radical |
rHTe |
1.656 |
1.712 |
0.056 |
C2H6O2 |
1,2-Ethanediol |
rCO |
1.420 |
1.476 |
0.056 |
PO |
Phosphorus monoxide |
rPO |
1.476 |
1.532 |
0.056 |
PO |
Phosphorus monoxide |
rPO |
1.476 |
1.532 |
0.056 |
CH2NOH |
formaldoxime |
rOH |
0.956 |
1.012 |
0.056 |
GeF4 |
Germanium tetrafluoride |
rFGe |
1.670 |
1.726 |
0.056 |
CF3 |
Trifluoromethyl radical |
rCF |
1.318 |
1.374 |
0.056 |
CF3 |
Trifluoromethyl radical |
rCF |
1.318 |
1.374 |
0.056 |
Li2 |
Lithium diatomic |
rLiLi |
2.673 |
2.729 |
0.056 |
HO2 |
Hydroperoxy radical |
rOH |
0.971 |
1.026 |
0.056 |
CH3NO3 |
Methyl nitrate |
rCO |
1.437 |
1.493 |
0.056 |
H2O+ |
water cation |
rOH |
0.999 |
1.055 |
0.056 |
H2O+ |
water cation |
rOH |
0.999 |
1.055 |
0.056 |
NH |
Imidogen |
rNH |
1.036 |
1.092 |
0.055 |
NH |
Imidogen |
rNH |
1.036 |
1.092 |
0.055 |
C3H6O |
2-Propen-1-ol |
rCO |
1.428 |
1.483 |
0.055 |
H2S2 |
Disulfane |
rSS |
2.056 |
2.112 |
0.055 |
H2S2 |
Disulfane |
rSS |
2.056 |
2.112 |
0.055 |
CH3CHNOH |
Acetaldoxime |
rOH |
0.956 |
1.011 |
0.055 |
GeH3CH3 |
methyl germane |
rCGe |
1.945 |
2.001 |
0.055 |
C3H6S |
Thietane |
rCS |
1.847 |
1.902 |
0.055 |
CH3CH2SH |
ethanethiol |
rCS |
1.820 |
1.875 |
0.055 |
CH3CH2SH |
ethanethiol |
rCS |
1.820 |
1.875 |
0.055 |
NH |
Imidogen |
rNH |
1.034 |
1.089 |
0.055 |
C4H6O |
Furan, 2,5-dihydro- |
rCO |
1.440 |
1.495 |
0.055 |
C3H7SH |
1-Propanethiol |
rCS |
1.820 |
1.875 |
0.055 |
Li2 |
Lithium diatomic |
rLiLi |
2.673 |
2.728 |
0.055 |
CH3OH |
Methyl alcohol |
rOH |
0.956 |
1.011 |
0.055 |
LiCl |
lithium chloride |
rLiCl |
2.021 |
2.075 |
0.055 |
LiCl |
lithium chloride |
rLiCl |
2.021 |
2.075 |
0.055 |
H2Te |
Hydrogen Telluride |
rHTe |
1.651 |
1.706 |
0.055 |
CH3OH |
Methyl alcohol |
rOH |
0.956 |
1.011 |
0.055 |
H2O |
Water |
rOH |
0.958 |
1.012 |
0.054 |
CF3COOH |
trifluoroacetic acid |
rCF |
1.325 |
1.379 |
0.054 |
SeCl2 |
Selenium Dichloride |
rClSe |
2.157 |
2.211 |
0.054 |
CH3OH |
Methyl alcohol |
rOH |
0.956 |
1.010 |
0.054 |
H2O |
Water |
rOH |
0.958 |
1.012 |
0.054 |
C3H5Cl |
1-chloro-1-propene(E) |
rCCl |
1.728 |
1.782 |
0.054 |
S2 |
Sulfur diatomic |
rSS |
1.889 |
1.943 |
0.054 |
SiI4 |
silicon tetraiodide |
rSiI |
2.432 |
2.486 |
0.054 |
ICN |
Cyanogen iodide |
rCI |
1.992 |
2.046 |
0.054 |
C2H6O2S |
Dimethyl sulfone |
rCS |
1.777 |
1.831 |
0.054 |
C2H6O2S |
Dimethyl sulfone |
rCS |
1.777 |
1.831 |
0.054 |
CH3CHNOH |
Acetaldoxime |
rOH |
0.956 |
1.010 |
0.054 |
NS |
Mononitrogen monosulfide |
rNS |
1.497 |
1.551 |
0.054 |
ClNO2 |
Nitryl chloride |
rNO |
1.202 |
1.256 |
0.054 |
C2H5Br |
Ethyl bromide |
rCBr |
1.950 |
2.004 |
0.054 |
C2H5Br |
Ethyl bromide |
rCBr |
1.950 |
2.004 |
0.054 |
CH3SeCH3 |
dimethylselenide |
rCSe |
1.943 |
1.997 |
0.054 |
GeH |
germylidene |
rGeH |
1.588 |
1.642 |
0.054 |
AsN |
Arsenic mononitride |
rNAs |
1.618 |
1.672 |
0.054 |
FCN |
Cyanogen fluoride |
rCF |
1.262 |
1.316 |
0.054 |
HCOOH |
Formic acid |
rCO |
1.343 |
1.396 |
0.053 |
HCOOH |
Formic acid |
rCO |
1.343 |
1.396 |
0.053 |
C2H5NO3 |
Nitric acid, ethyl ester |
rNO |
1.215 |
1.268 |
0.053 |
C2H3Cl |
Ethene, chloro- |
rCCl |
1.726 |
1.779 |
0.053 |
GeF+ |
Germanium monofluoride cation |
rFGe |
1.665 |
1.719 |
0.053 |
HCOOH |
Formic acid |
rCO |
1.343 |
1.396 |
0.053 |
CH3Br |
methyl bromide |
rCBr |
1.934 |
1.987 |
0.053 |
CH3Br |
methyl bromide |
rCBr |
1.934 |
1.987 |
0.053 |
CH2CHCH2F |
Allyl Fluoride |
rCF |
1.382 |
1.435 |
0.053 |
CH2CHCH2F |
Allyl Fluoride |
rCF |
1.382 |
1.435 |
0.053 |
CH3CF3 |
Ethane, 1,1,1-trifluoro- |
rCF |
1.340 |
1.393 |
0.053 |
SO2F2 |
Sulfuryl fluoride |
rOS |
1.405 |
1.458 |
0.053 |
NH |
Imidogen |
rNH |
1.036 |
1.089 |
0.053 |
GeH |
germylidene |
rGeH |
1.588 |
1.641 |
0.053 |
GaAs |
Gallium arsenide |
rGaAs |
2.530 |
2.583 |
0.053 |
CF4 |
Carbon tetrafluoride |
rCF |
1.315 |
1.368 |
0.053 |
BCl |
boron monochloride |
rBCl |
1.719 |
1.772 |
0.052 |
CF3COOH |
trifluoroacetic acid |
rOH |
0.960 |
1.012 |
0.052 |
GaAs |
Gallium arsenide |
rGaAs |
2.530 |
2.582 |
0.052 |
CH3NO2 |
Methane, nitro- |
rCN |
1.489 |
1.541 |
0.052 |
GeS |
Germanium monosulfide |
rSGe |
2.012 |
2.064 |
0.052 |
BF |
Boron monofluoride |
rBF |
1.267 |
1.319 |
0.052 |
CH3NO2 |
Methane, nitro- |
rCN |
1.489 |
1.541 |
0.052 |
GeH3F |
monofluorogermane |
rGeH |
1.515 |
1.567 |
0.052 |
BF |
Boron monofluoride |
rBF |
1.267 |
1.319 |
0.052 |
MgCl |
magnesium monochloride |
rMgCl |
2.199 |
2.251 |
0.052 |
C3H6O3 |
1,3,5-Trioxane |
rCO |
1.421 |
1.472 |
0.052 |
BrF5 |
bromine pentafluoride |
rFBr |
1.774 |
1.826 |
0.052 |
CH3SSCH3 |
Disulfide, dimethyl |
rSS |
2.038 |
2.090 |
0.052 |
N2H2 |
(E)-diazene |
rNN |
1.252 |
1.303 |
0.051 |
N2H2 |
(E)-diazene |
rNN |
1.252 |
1.303 |
0.051 |
CSe |
Carbon monoselenide |
rCSe |
1.676 |
1.728 |
0.051 |
BrF3 |
Bromine trifluoride |
rFBr |
1.810 |
1.861 |
0.051 |
BH3NH3 |
borane ammonia |
rBN |
1.645 |
1.697 |
0.051 |
SF6 |
Sulfur Hexafluoride |
rSF |
1.561 |
1.612 |
0.051 |
SF6 |
Sulfur Hexafluoride |
rSF |
1.561 |
1.612 |
0.051 |
C4H6O2 |
2,3-Butanedione |
rCC |
1.507 |
1.558 |
0.051 |
CH2CF2 |
Ethene, 1,1-difluoro- |
rCF |
1.315 |
1.366 |
0.051 |
HOI |
Hypoiodous acid |
rOH |
0.967 |
1.018 |
0.051 |
B4H10 |
Tetraborane(10) |
rHB |
1.484 |
1.433 |
-0.051 |
CHClCHCl |
Ethene, 1,2-dichloro-, (E)- |
rCCl |
1.718 |
1.769 |
0.051 |
C6H4Cl2 |
1,4-dichlorobenzene |
rCCl |
1.729 |
1.780 |
0.051 |
BH3NH3 |
borane ammonia |
rBN |
1.645 |
1.696 |
0.051 |
CH3CH2SH |
ethanethiol |
rCS |
1.820 |
1.871 |
0.051 |
CSe |
Carbon monoselenide |
rCSe |
1.676 |
1.727 |
0.051 |
HI |
Hydrogen iodide |
rHI |
1.609 |
1.660 |
0.051 |
HI |
Hydrogen iodide |
rHI |
1.609 |
1.660 |
0.051 |
CH2ClCHCHCH3 |
2-Butene, 1-chloro- |
rCCl |
1.807 |
1.858 |
0.051 |
FSSF |
Difluorodisulfane |
rSS |
1.890 |
1.941 |
0.051 |
CH3CHF2 |
Ethane, 1,1-difluoro- |
rCF |
1.364 |
1.415 |
0.051 |
BC |
boron monocarbide |
rBC |
1.491 |
1.440 |
-0.051 |
CH3CHF2 |
Ethane, 1,1-difluoro- |
rCF |
1.364 |
1.415 |
0.051 |
C4H6O |
Cyclobutanone |
rCC |
1.527 |
1.578 |
0.051 |
GaP |
Gallium monophosphide |
rPGa |
2.240 |
2.291 |
0.051 |
GaP |
Gallium monophosphide |
rPGa |
2.240 |
2.291 |
0.051 |
GaP |
Gallium monophosphide |
rPGa |
2.240 |
2.291 |
0.051 |
GaP |
Gallium monophosphide |
rPGa |
2.240 |
2.291 |
0.051 |
BH3NH3 |
borane ammonia |
rBN |
1.645 |
1.696 |
0.051 |
S3 |
Sulfur trimer |
rSS |
1.917 |
1.968 |
0.051 |
S3 |
Sulfur trimer |
rSS |
1.917 |
1.968 |
0.051 |
C6H5OH |
phenol |
rOH |
0.956 |
1.007 |
0.051 |
C4H8O2 |
1,3-Dioxane |
rCO |
1.439 |
1.489 |
0.050 |
S2 |
Sulfur diatomic |
rSS |
1.889 |
1.940 |
0.050 |
S2 |
Sulfur diatomic |
rSS |
1.889 |
1.940 |
0.050 |
NH2OH |
hydroxylamine |
rOH |
0.962 |
1.012 |
0.050 |
NH2OH |
hydroxylamine |
rOH |
0.962 |
1.012 |
0.050 |
C3H8O2 |
Propylene glycol |
rCO |
1.420 |
1.470 |
0.050 |
C3H6O |
2-Propen-1-ol |
rOH |
0.960 |
1.010 |
0.050 |
NH2OH |
hydroxylamine |
rOH |
0.962 |
1.012 |
0.050 |
Se2 |
Selenium diatomic |
rSeSe |
2.166 |
2.216 |
0.050 |
C5H7N |
Cyclobutanecarbonitrile |
rCC |
1.551 |
1.601 |
0.050 |
CH3SCH2CH3 |
Ethane, (methylthio)- |
rCS |
1.804 |
1.854 |
0.050 |
HOCH2COOH |
Hydroxyacetic acid |
rCO |
1.406 |
1.456 |
0.050 |
AsF3 |
Arsenic trifluoride |
rAsF |
1.706 |
1.756 |
0.050 |
F2CCCF2 |
tetrafluoroallene |
rCF |
1.320 |
1.370 |
0.050 |
749 molecules.