Species |
Name |
Bond type |
Bond Length (Å) |
Experimental |
Calculated |
Difference |
C4H6 |
1-Methylcyclopropene |
rCH |
1.085 |
4.227 |
3.142 |
C4H6 |
1-Methylcyclopropene |
rCH |
1.087 |
3.423 |
2.336 |
H2SO4 |
Sulfuric acid |
rOH |
0.970 |
2.838 |
1.868 |
C4H8S |
Thiophene, tetrahydro- |
rCC |
1.532 |
3.314 |
1.782 |
C4H10O |
Ethanol, 1,1-dimethyl- |
rCH |
1.117 |
2.439 |
1.322 |
Mg2 |
Magnesium diatomic |
rMgMg |
3.891 |
2.683 |
-1.208 |
H2ONH3 |
Water Ammonia Dimer |
rNH |
2.983 |
2.055 |
-0.928 |
CH2BrCl |
Methane, bromochloro- |
rCBr |
1.928 |
1.088 |
-0.840 |
C4H6 |
1-Methylcyclopropene |
rCC |
1.476 |
2.266 |
0.790 |
S4 |
Sulfur tetramer |
rSS |
2.155 |
2.943 |
0.788 |
HSSSH |
trisulfane |
rHS |
1.344 |
2.116 |
0.772 |
HSSSH |
trisulfane |
rHS |
1.344 |
2.116 |
0.772 |
HSSSH |
trisulfane |
rHS |
1.344 |
2.115 |
0.771 |
HSSSH |
trisulfane |
rHS |
1.344 |
2.115 |
0.771 |
CH3CH2SH |
ethanethiol |
rCH |
1.095 |
1.853 |
0.758 |
CH3CH2SH |
ethanethiol |
rCH |
1.095 |
1.848 |
0.753 |
C4H6 |
1-Methylcyclopropene |
rCH |
1.087 |
1.834 |
0.747 |
C4H10O |
Ethanol, 1,1-dimethyl- |
rCO |
1.446 |
2.182 |
0.736 |
C4H8S |
Thiophene, tetrahydro- |
rCH |
1.117 |
1.848 |
0.731 |
C4H6 |
1-Methylcyclopropene |
rCH |
1.098 |
1.785 |
0.687 |
Na2Cl2 |
Disodium dichloride |
rNaCl |
2.584 |
3.269 |
0.685 |
CH2BrCl |
Methane, bromochloro- |
rHC |
1.115 |
1.787 |
0.672 |
CH2BrCl |
Methane, bromochloro- |
rCCl |
1.755 |
1.088 |
-0.667 |
C4H6 |
1-Methylcyclopropene |
rCH |
1.098 |
1.764 |
0.666 |
Be2 |
Beryllium diatomic |
rBeBe |
2.460 |
1.939 |
-0.521 |
Be2 |
Beryllium diatomic |
rBeBe |
2.460 |
1.939 |
-0.521 |
CH3SO2NH2 |
methanesulfonamide |
rCN |
1.207 |
1.713 |
0.507 |
S4 |
Sulfur tetramer |
rSS |
2.155 |
2.659 |
0.504 |
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 |
1.510 |
0.440 |
CH3CH2SH |
ethanethiol |
rCH |
1.089 |
1.528 |
0.439 |
CH3CH2SH |
ethanethiol |
rCH |
1.089 |
1.527 |
0.438 |
CH3CH2SH |
ethanethiol |
rCH |
1.092 |
1.528 |
0.436 |
CH3CH2SH |
ethanethiol |
rCH |
1.092 |
1.527 |
0.435 |
C(CH3)3NH2 |
2-Propanamine, 2-methyl- |
rNH |
1.048 |
1.482 |
0.434 |
C2H4F2 |
1,2-difluoroethane |
rCH |
1.093 |
1.525 |
0.432 |
C4H10O |
Methyl propyl ether |
rCC |
1.530 |
1.098 |
-0.432 |
C2H4F2 |
1,2-difluoroethane |
rCH |
1.093 |
1.524 |
0.431 |
C4H4N2 |
Succinonitrile |
rCH |
1.123 |
1.554 |
0.431 |
S4 |
Sulfur tetramer |
rSS |
2.155 |
2.580 |
0.425 |
C2H4F2 |
1,2-difluoroethane |
rCH |
1.093 |
1.511 |
0.418 |
C2H4F2 |
1,2-difluoroethane |
rCH |
1.093 |
1.510 |
0.417 |
C4H6 |
1-Methylcyclopropene |
rCC |
1.515 |
1.098 |
-0.417 |
CH2CHCH2F |
Allyl Fluoride |
rHC |
1.130 |
1.499 |
0.369 |
CH2CHCH2F |
Allyl Fluoride |
rHC |
1.130 |
1.496 |
0.366 |
C4H4N2 |
Succinonitrile |
rCH |
1.111 |
1.462 |
0.351 |
C3H3NO |
Isoxazole |
rCH |
1.075 |
1.425 |
0.350 |
ZnS |
Zinc sulfide |
rSZn |
2.046 |
2.392 |
0.346 |
C4H8S |
Thiophene, tetrahydro- |
rCS |
1.835 |
2.168 |
0.333 |
CH3CF3 |
Ethane, 1,1,1-trifluoro- |
rCF |
1.340 |
1.666 |
0.326 |
CH3CH2SH |
ethanethiol |
rCC |
1.528 |
1.853 |
0.325 |
CH3CH2SH |
ethanethiol |
rCC |
1.528 |
1.848 |
0.320 |
C4H10O |
Methyl propyl ether |
rCH |
1.099 |
1.416 |
0.317 |
CaF |
Calcium monofluoride |
rFCa |
1.967 |
2.280 |
0.313 |
CH3CH2SH |
ethanethiol |
rCS |
1.820 |
1.527 |
-0.293 |
CH3CH2SH |
ethanethiol |
rCS |
1.820 |
1.528 |
-0.292 |
AlCl |
Aluminum monochloride |
rAlCl |
2.130 |
2.420 |
0.289 |
SeO3 |
selenium trioxide |
rSeO |
1.688 |
1.973 |
0.285 |
S4 |
Sulfur tetramer |
rSS |
1.898 |
2.181 |
0.283 |
Al2Cl6 |
Aluminum, di-μ-chlorotetrachlorodi- |
rAlCl |
2.040 |
2.296 |
0.256 |
C2H2+ |
acetylene cation |
rCH |
1.077 |
1.324 |
0.247 |
Si2H2 |
disilyne |
rSiSi |
2.215 |
1.981 |
-0.234 |
S3 |
Sulfur trimer |
rSS |
1.917 |
2.132 |
0.215 |
B2F4 |
Diboron tetrafluoride |
rBB |
1.720 |
1.507 |
-0.213 |
ClF3 |
Chlorine trifluoride |
rFCl |
1.597 |
1.810 |
0.213 |
ClF3 |
Chlorine trifluoride |
rFCl |
1.597 |
1.810 |
0.213 |
C4H6 |
1-Methylcyclopropene |
rCC |
1.300 |
1.510 |
0.210 |
AsF5 |
Arsenic pentafluoride |
rAsF |
1.711 |
1.916 |
0.205 |
Ar2 |
Argon diatomic |
rArAr |
3.758 |
3.960 |
0.202 |
Si2H2 |
disilyne |
rSiH |
1.668 |
1.468 |
-0.200 |
ONNO |
NO dimer |
rNN |
2.236 |
2.041 |
-0.195 |
NaO |
sodium monoxide |
rONa |
2.052 |
1.861 |
-0.191 |
AsF5 |
Arsenic pentafluoride |
rAsF |
1.656 |
1.839 |
0.183 |
K2 |
Potassium diatomic |
rKK |
3.905 |
4.087 |
0.182 |
ClF5 |
chlorinepentafluoride |
rFCl |
1.650 |
1.831 |
0.181 |
CHF2CHF2 |
1,1,2,2-tetrafluoroethane |
rCF |
1.359 |
1.535 |
0.176 |
C4H4N2O2 |
Uracil |
rNH |
0.836 |
1.011 |
0.175 |
Al2 |
Aluminum diatomic |
rAlAl |
2.701 |
2.529 |
-0.172 |
CH3SCH2CH3 |
Ethane, (methylthio)- |
rCS |
1.804 |
1.635 |
-0.169 |
CH3SCH2CH3 |
Ethane, (methylthio)- |
rCS |
1.804 |
1.635 |
-0.169 |
Si2H2 |
disilyne |
rSiH |
1.668 |
1.503 |
-0.165 |
C2 |
Carbon diatomic |
rCC |
1.243 |
1.402 |
0.160 |
SiF4 |
Silicon tetrafluoride |
rSiF |
1.554 |
1.713 |
0.159 |
B2Cl4 |
Diboron tetrachloride |
rBB |
1.702 |
1.543 |
-0.159 |
AlP |
Aluminum monophosphide |
rAlP |
2.400 |
2.241 |
-0.159 |
AlP |
Aluminum monophosphide |
rAlP |
2.400 |
2.241 |
-0.159 |
AlP |
Aluminum monophosphide |
rAlP |
2.400 |
2.241 |
-0.159 |
C10H8 |
Azulene |
rCC |
1.414 |
1.566 |
0.152 |
C4H4N2O2 |
Uracil |
rCH |
0.931 |
1.082 |
0.151 |
GaAs |
Gallium arsenide |
rGaAs |
2.530 |
2.380 |
-0.150 |
Al2Cl6 |
Aluminum, di-μ-chlorotetrachlorodi- |
rAlCl |
2.240 |
2.092 |
-0.148 |
Li2+ |
lithium diatomic cation |
rLiLi |
3.112 |
2.966 |
-0.146 |
C2Cl4 |
Tetrachloroethylene |
rCCl |
1.718 |
1.579 |
-0.139 |
C4H4N2O2 |
Uracil |
rNH |
0.877 |
1.014 |
0.137 |
ClOOCl |
Dichlorine dioxide |
rOCl |
1.704 |
1.573 |
-0.132 |
C10H8 |
Azulene |
rCC |
1.407 |
1.538 |
0.132 |
B2 |
Boron diatomic |
rBB |
1.590 |
1.459 |
-0.131 |
B2 |
Boron diatomic |
rBB |
1.590 |
1.459 |
-0.131 |
C4H4N2O2 |
Uracil |
rCH |
0.957 |
1.087 |
0.130 |
B2F4 |
Diboron tetrafluoride |
rBF |
1.317 |
1.442 |
0.125 |
AlN |
Aluminum nitride |
rNAl |
1.786 |
1.907 |
0.121 |
N2O4 |
Dinitrogen tetroxide |
rNN |
1.782 |
1.899 |
0.117 |
C2H4O3 |
trioxolane124 |
rCN |
1.303 |
1.419 |
0.116 |
N2O4 |
Dinitrogen tetroxide |
rNN |
1.782 |
1.898 |
0.116 |
AlO |
Aluminum monoxide |
rAlO |
1.618 |
1.733 |
0.115 |
C10H8 |
Azulene |
rCC |
1.405 |
1.290 |
-0.114 |
ClF3 |
Chlorine trifluoride |
rFCl |
1.697 |
1.810 |
0.113 |
ClF3 |
Chlorine trifluoride |
rFCl |
1.697 |
1.810 |
0.113 |
ClFO3 |
Perchloryl fluoride |
rFCl |
1.598 |
1.711 |
0.113 |
N2 |
Nitrogen diatomic |
rNN |
1.098 |
1.210 |
0.112 |
N2 |
Nitrogen diatomic |
rNN |
1.098 |
1.210 |
0.112 |
ClNO |
Nitrosyl chloride |
rNCl |
1.975 |
2.087 |
0.112 |
C10H8 |
Azulene |
rCC |
1.398 |
1.287 |
-0.111 |
ClNO |
Nitrosyl chloride |
rNCl |
1.975 |
2.085 |
0.110 |
Ne2 |
Neon diatomic |
rNeNe |
3.100 |
2.990 |
-0.110 |
Al2 |
Aluminum diatomic |
rAlAl |
2.701 |
2.591 |
-0.110 |
N2 |
Nitrogen diatomic |
rNN |
1.213 |
1.104 |
-0.109 |
N2 |
Nitrogen diatomic |
rNN |
1.213 |
1.104 |
-0.109 |
N2 |
Nitrogen diatomic |
rNN |
1.213 |
1.104 |
-0.109 |
N2 |
Nitrogen diatomic |
rNN |
1.213 |
1.104 |
-0.109 |
NO3 |
Nitrogen trioxide |
rNO |
1.238 |
1.346 |
0.108 |
ClNO2 |
Nitryl chloride |
rNCl |
1.840 |
1.947 |
0.107 |
LiK |
Lithium Potassium |
rLiK |
3.270 |
3.377 |
0.107 |
C2F4 |
Tetrafluoroethylene |
rCF |
1.319 |
1.425 |
0.106 |
NO3 |
Nitrogen trioxide |
rNO |
1.238 |
1.343 |
0.105 |
CF3CN |
Acetonitrile, trifluoro- |
rCF |
1.328 |
1.429 |
0.101 |
ClF3 |
Chlorine trifluoride |
rFCl |
1.597 |
1.698 |
0.101 |
ClF3 |
Chlorine trifluoride |
rFCl |
1.597 |
1.698 |
0.101 |
CH3COCH3 |
Acetone |
rCO |
1.214 |
1.314 |
0.100 |
FSN |
Thiazyl fluoride |
rFS |
1.643 |
1.743 |
0.100 |
Si2H2 |
disilyne |
rSiSi |
2.215 |
2.117 |
-0.098 |
NaLi |
lithium sodium |
rLiNa |
2.889 |
2.987 |
0.098 |
NaLi |
lithium sodium |
rLiNa |
2.889 |
2.986 |
0.097 |
Na2 |
Sodium diatomic |
rNaNa |
3.079 |
3.174 |
0.095 |
Na2 |
Sodium diatomic |
rNaNa |
3.079 |
3.174 |
0.095 |
B2 |
Boron diatomic |
rBB |
1.590 |
1.497 |
-0.093 |
CO |
Carbon monoxide |
rCO |
1.128 |
1.220 |
0.091 |
HCCl |
Chloromethylene |
rCCl |
1.696 |
1.605 |
-0.091 |
CH3OCl |
methyl hypochlorite |
rOCl |
1.674 |
1.765 |
0.091 |
CFCl |
chlorofluoromethylene |
rCCl |
1.714 |
1.803 |
0.089 |
ClF3 |
Chlorine trifluoride |
rFCl |
1.697 |
1.783 |
0.087 |
ClF3 |
Chlorine trifluoride |
rFCl |
1.697 |
1.783 |
0.087 |
BC |
boron monocarbide |
rBC |
1.491 |
1.405 |
-0.086 |
Si2H2 |
disilyne |
rSiSi |
2.215 |
2.131 |
-0.085 |
S8 |
Octasulfur |
rSS |
2.059 |
1.975 |
-0.084 |
GaAs |
Gallium arsenide |
rGaAs |
2.530 |
2.614 |
0.084 |
OPCl |
Phosphorus oxychloride |
rPCl |
2.059 |
2.142 |
0.083 |
C3H3N3 |
1,3,5-Triazine |
rCN |
1.338 |
1.421 |
0.083 |
C3H4O |
Cyclopropanone |
rCO |
1.191 |
1.274 |
0.083 |
C10H8 |
Azulene |
rCC |
1.377 |
1.295 |
-0.082 |
KrF2 |
Krypton difluoride |
rFKr |
1.875 |
1.957 |
0.082 |
GaAs |
Gallium arsenide |
rGaAs |
2.530 |
2.611 |
0.081 |
SeF4 |
Selenium tetrafluoride |
rFSe |
1.682 |
1.763 |
0.081 |
C2H |
Ethynyl radical |
rCC |
1.217 |
1.297 |
0.081 |
Cl2 |
Chlorine diatomic |
rClCl |
1.988 |
2.068 |
0.080 |
SiP |
Silicon monophosphide |
rSiP |
2.078 |
1.997 |
-0.080 |
SiP |
Silicon monophosphide |
rSiP |
2.078 |
1.997 |
-0.080 |
SO2F2 |
Sulfuryl fluoride |
rFS |
1.530 |
1.610 |
0.080 |
He2+ |
helium diatomic cation |
rHeHe |
1.081 |
1.159 |
0.078 |
NCl3 |
nitrogen trichloride |
rNCl |
1.754 |
1.831 |
0.078 |
Si2 |
Silicon diatomic |
rSiSi |
2.246 |
2.169 |
-0.077 |
SFCl |
Sulfur chloride fluoride |
rSCl |
1.994 |
2.070 |
0.076 |
FSSF |
Difluorodisulfane |
rFS |
1.635 |
1.710 |
0.075 |
CH2FI |
fluoroiodomethane |
rCI |
2.140 |
2.214 |
0.075 |
Li2 |
Lithium diatomic |
rLiLi |
2.673 |
2.748 |
0.075 |
SiC |
silicon monocarbide |
rCSi |
1.722 |
1.648 |
-0.074 |
C2 |
Carbon diatomic |
rCC |
1.243 |
1.315 |
0.073 |
ZnCN |
Zinc monocyanide |
rCZn |
1.950 |
2.022 |
0.073 |
CF3CN |
Acetonitrile, trifluoro- |
rCC |
1.492 |
1.420 |
-0.073 |
C3H4O |
Cyclopropanone |
rCH |
1.086 |
1.014 |
-0.072 |
BrCl |
Bromine monochloride |
rClBr |
2.136 |
2.206 |
0.070 |
Si2H2 |
disilyne |
rSiH |
1.668 |
1.738 |
0.070 |
C4H8O2 |
Ethyl acetate |
rCO |
1.448 |
1.518 |
0.070 |
PBr3 |
Phosphorus tribromide |
rPBr |
2.220 |
2.290 |
0.069 |
OClO |
Chlorine dioxide |
rClO |
1.470 |
1.539 |
0.069 |
H2SO4 |
Sulfuric acid |
rSO |
1.574 |
1.643 |
0.069 |
CH2BrF |
Methane, bromofluoro- |
rCBr |
1.915 |
1.984 |
0.069 |
OClO |
Chlorine dioxide |
rClO |
1.470 |
1.539 |
0.069 |
BrCl |
Bromine monochloride |
rClBr |
2.136 |
2.205 |
0.069 |
CH3SSH |
Hydrogen methyl disulfide |
rSS |
2.038 |
2.106 |
0.068 |
SiBr |
Silicon monobromide |
rSiBr |
2.209 |
2.277 |
0.068 |
H2Cl+ |
dihydrogen monochloride cation |
rHCl |
1.321 |
1.389 |
0.068 |
CH2ClCCCl |
1,3-dichloropropyne |
rCCl |
1.779 |
1.846 |
0.068 |
SF4 |
Sulfur tetrafluoride |
rSF |
1.545 |
1.613 |
0.068 |
SF4 |
Sulfur tetrafluoride |
rSF |
1.545 |
1.613 |
0.068 |
GaBr |
Gallium monobromide |
rGaBr |
2.352 |
2.419 |
0.067 |
Cl2+ |
chlorine diatomic cation |
rClCl |
1.892 |
1.958 |
0.066 |
BrNO |
Nitrosyl bromide |
rNBr |
2.140 |
2.206 |
0.066 |
SF4 |
Sulfur tetrafluoride |
rSF |
1.646 |
1.712 |
0.066 |
SCl |
sulfur monochloride |
rSCl |
1.975 |
2.041 |
0.066 |
SF4 |
Sulfur tetrafluoride |
rSF |
1.646 |
1.712 |
0.066 |
C4H10O |
Ethoxy ethane |
rCO |
1.411 |
1.477 |
0.066 |
GaCl |
Gallium monochloride |
rClGa |
2.202 |
2.267 |
0.065 |
BrF3 |
Bromine trifluoride |
rFBr |
1.721 |
1.786 |
0.065 |
ClF |
Chlorine monofluoride |
rFCl |
1.628 |
1.692 |
0.064 |
Br2 |
Bromine diatomic |
rBrBr |
2.281 |
2.345 |
0.064 |
GaCl |
Gallium monochloride |
rClGa |
2.202 |
2.265 |
0.063 |
SeO3 |
selenium trioxide |
rSeO |
1.688 |
1.624 |
-0.063 |
BrF5 |
bromine pentafluoride |
rFBr |
1.689 |
1.752 |
0.063 |
Br2 |
Bromine diatomic |
rBrBr |
2.281 |
2.344 |
0.063 |
HSSSH |
trisulfane |
rSS |
2.053 |
2.116 |
0.063 |
HSSSH |
trisulfane |
rSS |
2.053 |
2.116 |
0.063 |
SeF4 |
Selenium tetrafluoride |
rFSe |
1.771 |
1.833 |
0.062 |
PF+ |
phosphorus monofluoride cation |
rFP |
1.500 |
1.562 |
0.062 |
C2H2+ |
acetylene cation |
rCC |
1.253 |
1.315 |
0.062 |
ClOOCl |
Dichlorine dioxide |
rOO |
1.426 |
1.364 |
-0.062 |
HSSSH |
trisulfane |
rSS |
2.054 |
2.116 |
0.062 |
HSSSH |
trisulfane |
rSS |
2.054 |
2.116 |
0.062 |
HSSSH |
trisulfane |
rSS |
2.053 |
2.115 |
0.062 |
HSSSH |
trisulfane |
rSS |
2.053 |
2.115 |
0.062 |
BrF |
Bromine monofluoride |
rFBr |
1.759 |
1.820 |
0.061 |
H2S2 |
Disulfane |
rSS |
2.056 |
2.117 |
0.061 |
SiC |
silicon monocarbide |
rCSi |
1.722 |
1.783 |
0.061 |
HSSSH |
trisulfane |
rSS |
2.054 |
2.115 |
0.061 |
HSSSH |
trisulfane |
rSS |
2.054 |
2.115 |
0.061 |
PCl5 |
Phosphorus pentachloride |
rPCl |
2.124 |
2.185 |
0.060 |
GeCl |
Germanium monochloride |
rClGe |
2.164 |
2.224 |
0.060 |
CH3ONO |
Methyl nitrite |
rNO |
1.398 |
1.458 |
0.060 |
C2Cl4 |
Tetrachloroethylene |
rCC |
1.354 |
1.414 |
0.060 |
BrF |
Bromine monofluoride |
rFBr |
1.759 |
1.818 |
0.060 |
CH2ClCHCl2 |
1,1,2-trichloroethane |
rCC |
1.580 |
1.520 |
-0.060 |
AsF3 |
Arsenic trifluoride |
rAsF |
1.706 |
1.765 |
0.059 |
AlBr |
Aluminum monobromide |
rAlBr |
2.295 |
2.354 |
0.059 |
C4H6O2 |
2,3-Butanedione |
rCC |
1.507 |
1.566 |
0.059 |
SF2 |
sulfur difluoride |
rSF |
1.587 |
1.646 |
0.059 |
SF2 |
sulfur difluoride |
rSF |
1.587 |
1.646 |
0.059 |
CH3CHClCH2CH3 |
Butane, 2-chloro- |
rCCl |
1.781 |
1.840 |
0.059 |
PCl3 |
Phosphorus trichloride |
rPCl |
2.043 |
1.984 |
-0.059 |
BHCl2 |
Borane, dichloro- |
rBH |
1.130 |
1.188 |
0.058 |
GeCl |
Germanium monochloride |
rClGe |
2.164 |
2.222 |
0.058 |
SF6 |
Sulfur Hexafluoride |
rSF |
1.561 |
1.619 |
0.058 |
SF6 |
Sulfur Hexafluoride |
rSF |
1.561 |
1.618 |
0.058 |
ZnS |
Zinc sulfide |
rSZn |
2.046 |
2.104 |
0.058 |
FNO2 |
Nitryl fluoride |
rNF |
1.467 |
1.524 |
0.057 |
HSiCl |
Chlorosilylene |
rSiCl |
2.067 |
2.124 |
0.057 |
Ne2+ |
Neon diatomic cation |
rNeNe |
1.765 |
1.821 |
0.056 |
NH3BF3 |
Amminetrifluoroboron |
rBN |
1.673 |
1.729 |
0.056 |
MgCl |
magnesium monochloride |
rMgCl |
2.199 |
2.255 |
0.056 |
HSiBr |
monobromosilylene |
rSiBr |
2.237 |
2.293 |
0.056 |
SF5Cl |
sulfur chloropentafluoride |
rSCl |
2.030 |
2.086 |
0.056 |
ClFO3 |
Perchloryl fluoride |
rClO |
1.400 |
1.456 |
0.056 |
HOCl |
hypochlorous acid |
rClO |
1.697 |
1.753 |
0.055 |
C4H6O2 |
2,3-Butanedione |
rCC |
1.507 |
1.562 |
0.055 |
CBrClF2 |
Methane, bromochlorodifluoro- |
rCCl |
1.736 |
1.790 |
0.055 |
HOCl |
hypochlorous acid |
rClO |
1.697 |
1.752 |
0.054 |
CH3CHClCH3 |
Propane, 2-chloro- |
rCCl |
1.798 |
1.852 |
0.054 |
SFCl |
Sulfur chloride fluoride |
rFS |
1.606 |
1.660 |
0.054 |
HCO |
Formyl radical |
rCH |
1.080 |
1.134 |
0.054 |
SeS |
Selenium monosulfide |
rSSe |
2.037 |
2.090 |
0.054 |
CH3CHClCH3 |
Propane, 2-chloro- |
rCCl |
1.798 |
1.851 |
0.053 |
HCO |
Formyl radical |
rCH |
1.080 |
1.133 |
0.053 |
SiF2 |
Silicon difluoride |
rFSi |
1.590 |
1.643 |
0.053 |
SeCl2 |
Selenium Dichloride |
rClSe |
2.157 |
2.210 |
0.053 |
CHFClBr |
fluorochlorobromomethane |
rCBr |
1.928 |
1.981 |
0.053 |
SiF+ |
silicon monofluoride cation |
rFSi |
1.527 |
1.579 |
0.053 |
SF |
Monosulfur monofluoride |
rSF |
1.599 |
1.652 |
0.052 |
GeF4 |
Germanium tetrafluoride |
rFGe |
1.670 |
1.722 |
0.052 |
CBrCl3 |
Methane, bromotrichloro- |
rCBr |
1.944 |
1.996 |
0.052 |
C4H6 |
Methylenecyclopropane |
rCH |
1.088 |
1.036 |
-0.052 |
MgH |
magnesium monohydride |
rMgH |
1.730 |
1.781 |
0.052 |
SiCl |
Clorosilylidyne |
rSiCl |
2.061 |
2.113 |
0.051 |
FNO |
Nitrosyl fluoride |
rNF |
1.512 |
1.563 |
0.051 |
MgH |
magnesium monohydride |
rMgH |
1.730 |
1.781 |
0.051 |
CHFClBr |
fluorochlorobromomethane |
rCBr |
1.928 |
1.979 |
0.051 |
NCl |
nitrogen monochloride |
rNCl |
1.611 |
1.662 |
0.051 |
FNO |
Nitrosyl fluoride |
rNF |
1.512 |
1.563 |
0.051 |
HCCl |
Chloromethylene |
rCH |
1.119 |
1.068 |
-0.051 |
SiCl |
Clorosilylidyne |
rSiCl |
2.061 |
2.113 |
0.051 |
SF |
Monosulfur monofluoride |
rSF |
1.599 |
1.650 |
0.051 |
Se2 |
Selenium diatomic |
rSeSe |
2.166 |
2.217 |
0.051 |
CH3SOCH3 |
Dimethyl sulfoxide |
rCS |
1.799 |
1.850 |
0.051 |
CH3CHNOH |
Acetaldoxime |
rCC |
1.550 |
1.499 |
-0.051 |
GeF4 |
Germanium tetrafluoride |
rFGe |
1.670 |
1.721 |
0.051 |
PF3 |
Phosphorus trifluoride |
rFP |
1.561 |
1.611 |
0.050 |
ClSSCl |
Disulfur dichloride |
rSCl |
2.057 |
2.107 |
0.050 |
BrO |
Bromine monoxide |
rOBr |
1.718 |
1.768 |
0.050 |
277 molecules.