Species |
Name |
Bond type |
Bond Length (Å) |
Experimental |
Calculated |
Difference |
C4H6 |
1-Methylcyclopropene |
rCH |
1.085 |
4.240 |
3.155 |
C4H6 |
1-Methylcyclopropene |
rCH |
1.087 |
3.429 |
2.342 |
H2SO4 |
Sulfuric acid |
rOH |
0.970 |
2.849 |
1.879 |
C4H8S |
Thiophene, tetrahydro- |
rCC |
1.532 |
3.319 |
1.787 |
C4H10O |
Ethanol, 1,1-dimethyl- |
rCH |
1.117 |
2.444 |
1.327 |
Mg2 |
Magnesium diatomic |
rMgMg |
3.891 |
2.683 |
-1.208 |
H2ONH3 |
Water Ammonia Dimer |
rNH |
2.983 |
2.057 |
-0.926 |
CH2BrCl |
Methane, bromochloro- |
rCBr |
1.928 |
1.090 |
-0.838 |
C4H6 |
1-Methylcyclopropene |
rCC |
1.476 |
2.270 |
0.794 |
S4 |
Sulfur tetramer |
rSS |
2.155 |
2.937 |
0.782 |
HSSSH |
trisulfane |
rHS |
1.344 |
2.105 |
0.761 |
HSSSH |
trisulfane |
rHS |
1.344 |
2.105 |
0.761 |
HSSSH |
trisulfane |
rHS |
1.344 |
2.103 |
0.760 |
HSSSH |
trisulfane |
rHS |
1.344 |
2.103 |
0.760 |
CH3CH2SH |
ethanethiol |
rCH |
1.095 |
1.854 |
0.759 |
CH3CH2SH |
ethanethiol |
rCH |
1.095 |
1.849 |
0.754 |
C4H6 |
1-Methylcyclopropene |
rCH |
1.087 |
1.836 |
0.749 |
C4H10O |
Ethanol, 1,1-dimethyl- |
rCO |
1.446 |
2.188 |
0.742 |
C4H8S |
Thiophene, tetrahydro- |
rCH |
1.117 |
1.850 |
0.733 |
C4H6 |
1-Methylcyclopropene |
rCH |
1.098 |
1.788 |
0.690 |
Na2Cl2 |
Disodium dichloride |
rNaCl |
2.584 |
3.266 |
0.682 |
CH2BrCl |
Methane, bromochloro- |
rHC |
1.115 |
1.787 |
0.672 |
C4H6 |
1-Methylcyclopropene |
rCH |
1.098 |
1.767 |
0.669 |
CH2BrCl |
Methane, bromochloro- |
rCCl |
1.755 |
1.090 |
-0.665 |
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 |
1.719 |
0.512 |
S4 |
Sulfur tetramer |
rSS |
2.155 |
2.658 |
0.503 |
Li2 |
Lithium diatomic |
rLiLi |
2.673 |
3.159 |
0.486 |
C4H4N2 |
Succinonitrile |
rCC |
1.561 |
1.098 |
-0.463 |
C4H6 |
1-Methylcyclopropene |
rCH |
1.070 |
1.512 |
0.442 |
CH3CH2SH |
ethanethiol |
rCH |
1.089 |
1.530 |
0.441 |
CH3CH2SH |
ethanethiol |
rCH |
1.089 |
1.529 |
0.440 |
CH3CH2SH |
ethanethiol |
rCH |
1.092 |
1.530 |
0.438 |
CH3CH2SH |
ethanethiol |
rCH |
1.092 |
1.529 |
0.437 |
C2H4F2 |
1,2-difluoroethane |
rCH |
1.093 |
1.528 |
0.435 |
C(CH3)3NH2 |
2-Propanamine, 2-methyl- |
rNH |
1.048 |
1.482 |
0.434 |
C2H4F2 |
1,2-difluoroethane |
rCH |
1.093 |
1.527 |
0.434 |
C4H4N2 |
Succinonitrile |
rCH |
1.123 |
1.556 |
0.433 |
C4H10O |
Methyl propyl ether |
rCC |
1.530 |
1.100 |
-0.430 |
C2H4F2 |
1,2-difluoroethane |
rCH |
1.093 |
1.512 |
0.419 |
C2H4F2 |
1,2-difluoroethane |
rCH |
1.093 |
1.512 |
0.419 |
C4H6 |
1-Methylcyclopropene |
rCC |
1.515 |
1.100 |
-0.415 |
CH2CHCH2F |
Allyl Fluoride |
rHC |
1.130 |
1.500 |
0.370 |
CH2CHCH2F |
Allyl Fluoride |
rHC |
1.130 |
1.497 |
0.367 |
Ar2 |
Argon diatomic |
rArAr |
3.758 |
4.115 |
0.357 |
C4H4N2 |
Succinonitrile |
rCH |
1.111 |
1.466 |
0.355 |
C3H3NO |
Isoxazole |
rCH |
1.075 |
1.427 |
0.352 |
C4H8S |
Thiophene, tetrahydro- |
rCS |
1.835 |
2.172 |
0.337 |
CH3CF3 |
Ethane, 1,1,1-trifluoro- |
rCF |
1.340 |
1.666 |
0.326 |
CH3CH2SH |
ethanethiol |
rCC |
1.528 |
1.854 |
0.326 |
C4H10O |
Methyl propyl ether |
rCH |
1.099 |
1.420 |
0.321 |
CH3CH2SH |
ethanethiol |
rCC |
1.528 |
1.849 |
0.321 |
CaF |
Calcium monofluoride |
rFCa |
1.967 |
2.280 |
0.313 |
CH3CH2SH |
ethanethiol |
rCS |
1.820 |
1.529 |
-0.291 |
CH3CH2SH |
ethanethiol |
rCS |
1.820 |
1.530 |
-0.290 |
AlCl |
Aluminum monochloride |
rAlCl |
2.130 |
2.420 |
0.289 |
SeO3 |
selenium trioxide |
rSeO |
1.688 |
1.973 |
0.285 |
ZnS |
Zinc sulfide |
rSZn |
2.046 |
2.326 |
0.279 |
S4 |
Sulfur tetramer |
rSS |
1.898 |
2.173 |
0.275 |
S4 |
Sulfur tetramer |
rSS |
2.155 |
2.426 |
0.271 |
Al2Cl6 |
Aluminum, di-μ-chlorotetrachlorodi- |
rAlCl |
2.040 |
2.300 |
0.260 |
C2H2+ |
acetylene cation |
rCH |
1.077 |
1.320 |
0.243 |
ONNO |
NO dimer |
rNN |
2.236 |
1.994 |
-0.242 |
CaO |
Calcium monoxide |
rOCa |
1.822 |
2.061 |
0.239 |
CaO |
Calcium monoxide |
rOCa |
1.822 |
2.060 |
0.238 |
Si2H2 |
disilyne |
rSiSi |
2.215 |
1.987 |
-0.228 |
C4H6 |
1-Methylcyclopropene |
rCC |
1.300 |
1.512 |
0.212 |
AsF5 |
Arsenic pentafluoride |
rAsF |
1.711 |
1.922 |
0.211 |
B2F4 |
Diboron tetrafluoride |
rBB |
1.720 |
1.511 |
-0.209 |
GaAs |
Gallium arsenide |
rGaAs |
2.530 |
2.323 |
-0.207 |
S3 |
Sulfur trimer |
rSS |
1.917 |
2.121 |
0.204 |
ClF3 |
Chlorine trifluoride |
rFCl |
1.597 |
1.795 |
0.199 |
ClF3 |
Chlorine trifluoride |
rFCl |
1.597 |
1.795 |
0.199 |
Si2H2 |
disilyne |
rSiH |
1.668 |
1.470 |
-0.198 |
CaS |
Calcium sulfide |
rSCa |
2.318 |
2.505 |
0.188 |
NaO |
sodium monoxide |
rONa |
2.052 |
1.866 |
-0.186 |
K2 |
Potassium diatomic |
rKK |
3.905 |
4.086 |
0.181 |
CHF2CHF2 |
1,1,2,2-tetrafluoroethane |
rCF |
1.359 |
1.540 |
0.181 |
AsF5 |
Arsenic pentafluoride |
rAsF |
1.656 |
1.834 |
0.178 |
C4H4N2O2 |
Uracil |
rNH |
0.836 |
1.013 |
0.177 |
ClF5 |
chlorinepentafluoride |
rFCl |
1.650 |
1.826 |
0.176 |
CaC |
Calcium monocarbide |
rCCa |
2.302 |
2.476 |
0.174 |
CH3SCH2CH3 |
Ethane, (methylthio)- |
rCS |
1.804 |
1.635 |
-0.169 |
CH3SCH2CH3 |
Ethane, (methylthio)- |
rCS |
1.804 |
1.635 |
-0.169 |
CaCl |
calcium monochloride |
rClCa |
2.437 |
2.604 |
0.168 |
Si2H2 |
disilyne |
rSiH |
1.668 |
1.504 |
-0.164 |
C2 |
Carbon diatomic |
rCC |
1.243 |
1.406 |
0.164 |
SiF4 |
Silicon tetrafluoride |
rSiF |
1.554 |
1.713 |
0.159 |
B2Cl4 |
Diboron tetrachloride |
rBB |
1.702 |
1.543 |
-0.159 |
CaH |
Calcium monohydride |
rCaH |
2.003 |
2.158 |
0.155 |
C10H8 |
Azulene |
rCC |
1.414 |
1.569 |
0.154 |
C4H4N2O2 |
Uracil |
rCH |
0.931 |
1.084 |
0.153 |
AlP |
Aluminum monophosphide |
rAlP |
2.400 |
2.247 |
-0.153 |
AlP |
Aluminum monophosphide |
rAlP |
2.400 |
2.247 |
-0.153 |
AlP |
Aluminum monophosphide |
rAlP |
2.400 |
2.247 |
-0.153 |
CaOH |
Calcium monohydroxide |
rOCa |
1.976 |
2.124 |
0.148 |
Li2+ |
lithium diatomic cation |
rLiLi |
3.112 |
2.966 |
-0.146 |
Al2Cl6 |
Aluminum, di-μ-chlorotetrachlorodi- |
rAlCl |
2.240 |
2.096 |
-0.144 |
C4H4N2O2 |
Uracil |
rNH |
0.877 |
1.016 |
0.139 |
C2Cl4 |
Tetrachloroethylene |
rCCl |
1.718 |
1.579 |
-0.139 |
C10H8 |
Azulene |
rCC |
1.407 |
1.542 |
0.135 |
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 |
1.088 |
0.131 |
ClOOCl |
Dichlorine dioxide |
rOCl |
1.704 |
1.574 |
-0.131 |
AlN |
Aluminum nitride |
rNAl |
1.786 |
1.915 |
0.129 |
B2F4 |
Diboron tetrafluoride |
rBF |
1.317 |
1.444 |
0.127 |
N2O4 |
Dinitrogen tetroxide |
rNN |
1.782 |
1.907 |
0.125 |
N2O4 |
Dinitrogen tetroxide |
rNN |
1.782 |
1.907 |
0.125 |
C2H4O3 |
trioxolane124 |
rCN |
1.303 |
1.422 |
0.119 |
N2 |
Nitrogen diatomic |
rNN |
1.098 |
1.214 |
0.117 |
N2 |
Nitrogen diatomic |
rNN |
1.098 |
1.214 |
0.117 |
LiK |
Lithium Potassium |
rLiK |
3.270 |
3.385 |
0.115 |
C10H8 |
Azulene |
rCC |
1.405 |
1.292 |
-0.113 |
NO3 |
Nitrogen trioxide |
rNO |
1.238 |
1.348 |
0.111 |
Al2 |
Aluminum diatomic |
rAlAl |
2.701 |
2.591 |
-0.110 |
He2+ |
helium diatomic cation |
rHeHe |
1.081 |
1.190 |
0.109 |
ClFO3 |
Perchloryl fluoride |
rFCl |
1.598 |
1.707 |
0.109 |
C10H8 |
Azulene |
rCC |
1.398 |
1.289 |
-0.109 |
NO3 |
Nitrogen trioxide |
rNO |
1.238 |
1.345 |
0.107 |
C2F4 |
Tetrafluoroethylene |
rCF |
1.319 |
1.425 |
0.106 |
CH3COCH3 |
Acetone |
rCO |
1.214 |
1.320 |
0.106 |
KCl |
Potassium Chloride |
rKCl |
2.667 |
2.768 |
0.102 |
CF3CN |
Acetonitrile, trifluoro- |
rCF |
1.328 |
1.430 |
0.101 |
FSN |
Thiazyl fluoride |
rFS |
1.643 |
1.743 |
0.100 |
N2 |
Nitrogen diatomic |
rNN |
1.213 |
1.113 |
-0.100 |
N2 |
Nitrogen diatomic |
rNN |
1.213 |
1.113 |
-0.100 |
N2 |
Nitrogen diatomic |
rNN |
1.213 |
1.113 |
-0.100 |
N2 |
Nitrogen diatomic |
rNN |
1.213 |
1.113 |
-0.100 |
ClF3 |
Chlorine trifluoride |
rFCl |
1.697 |
1.795 |
0.099 |
ClF3 |
Chlorine trifluoride |
rFCl |
1.697 |
1.795 |
0.099 |
CO |
Carbon monoxide |
rCO |
1.128 |
1.225 |
0.097 |
ClNO2 |
Nitryl chloride |
rNCl |
1.840 |
1.936 |
0.096 |
NaLi |
lithium sodium |
rLiNa |
2.889 |
2.985 |
0.096 |
NaLi |
lithium sodium |
rLiNa |
2.889 |
2.984 |
0.095 |
KF |
Potassium Fluoride |
rKF |
2.171 |
2.264 |
0.093 |
Si2H2 |
disilyne |
rSiSi |
2.215 |
2.123 |
-0.092 |
B2 |
Boron diatomic |
rBB |
1.590 |
1.499 |
-0.091 |
Li2 |
Lithium diatomic |
rLiLi |
2.673 |
2.764 |
0.091 |
HCCl |
Chloromethylene |
rCCl |
1.696 |
1.607 |
-0.089 |
Ne2 |
Neon diatomic |
rNeNe |
3.100 |
3.013 |
-0.087 |
KrF2 |
Krypton difluoride |
rFKr |
1.875 |
1.962 |
0.087 |
SO2F2 |
Sulfuryl fluoride |
rFS |
1.530 |
1.617 |
0.087 |
C2H |
Ethynyl radical |
rCC |
1.217 |
1.303 |
0.086 |
KBr |
Potassium Bromide |
rKBr |
2.821 |
2.906 |
0.085 |
C3H4O |
Cyclopropanone |
rCO |
1.191 |
1.275 |
0.084 |
S8 |
Octasulfur |
rSS |
2.059 |
1.975 |
-0.084 |
ClF3 |
Chlorine trifluoride |
rFCl |
1.597 |
1.680 |
0.083 |
ClF3 |
Chlorine trifluoride |
rFCl |
1.597 |
1.680 |
0.083 |
C3H3N3 |
1,3,5-Triazine |
rCN |
1.338 |
1.421 |
0.083 |
Na2 |
Sodium diatomic |
rNaNa |
3.079 |
3.161 |
0.082 |
Na2 |
Sodium diatomic |
rNaNa |
3.079 |
3.161 |
0.082 |
BC |
boron monocarbide |
rBC |
1.491 |
1.410 |
-0.081 |
Si2H2 |
disilyne |
rSiSi |
2.215 |
2.135 |
-0.081 |
C10H8 |
Azulene |
rCC |
1.377 |
1.297 |
-0.080 |
Si2H2 |
disilyne |
rSiH |
1.668 |
1.747 |
0.079 |
CH3OCl |
methyl hypochlorite |
rOCl |
1.674 |
1.752 |
0.078 |
C2 |
Carbon diatomic |
rCC |
1.243 |
1.320 |
0.078 |
H2SO4 |
Sulfuric acid |
rSO |
1.574 |
1.651 |
0.077 |
KOH |
Potassium hydroxide |
rOK |
2.212 |
2.288 |
0.077 |
ClF3 |
Chlorine trifluoride |
rFCl |
1.697 |
1.773 |
0.076 |
ClF3 |
Chlorine trifluoride |
rFCl |
1.697 |
1.773 |
0.076 |
FSSF |
Difluorodisulfane |
rFS |
1.635 |
1.709 |
0.074 |
Si2 |
Silicon diatomic |
rSiSi |
2.246 |
2.172 |
-0.074 |
CFCl |
chlorofluoromethylene |
rCCl |
1.714 |
1.788 |
0.074 |
CaBr2 |
Calcium dibromide |
rCaBr |
2.616 |
2.689 |
0.073 |
SiP |
Silicon monophosphide |
rSiP |
2.078 |
2.004 |
-0.073 |
SiP |
Silicon monophosphide |
rSiP |
2.078 |
2.004 |
-0.073 |
NCl3 |
nitrogen trichloride |
rNCl |
1.754 |
1.826 |
0.073 |
SiC |
silicon monocarbide |
rCSi |
1.722 |
1.649 |
-0.073 |
SF4 |
Sulfur tetrafluoride |
rSF |
1.545 |
1.617 |
0.072 |
SF4 |
Sulfur tetrafluoride |
rSF |
1.545 |
1.617 |
0.072 |
C3H4O |
Cyclopropanone |
rCH |
1.086 |
1.014 |
-0.072 |
C4H8O2 |
Ethyl acetate |
rCO |
1.448 |
1.519 |
0.071 |
OClO |
Chlorine dioxide |
rClO |
1.470 |
1.541 |
0.071 |
OClO |
Chlorine dioxide |
rClO |
1.470 |
1.540 |
0.070 |
FNO2 |
Nitryl fluoride |
rNF |
1.467 |
1.536 |
0.069 |
Cl2 |
Chlorine diatomic |
rClCl |
1.988 |
2.057 |
0.069 |
CF3CN |
Acetonitrile, trifluoro- |
rCC |
1.492 |
1.424 |
-0.069 |
H2Cl+ |
dihydrogen monochloride cation |
rHCl |
1.321 |
1.389 |
0.068 |
C4H10O |
Ethoxy ethane |
rCO |
1.411 |
1.479 |
0.068 |
PF+ |
phosphorus monofluoride cation |
rFP |
1.500 |
1.569 |
0.068 |
OPCl |
Phosphorus oxychloride |
rPCl |
2.059 |
2.127 |
0.068 |
Al2 |
Aluminum diatomic |
rAlAl |
2.701 |
2.634 |
-0.067 |
CH2ClCCCl |
1,3-dichloropropyne |
rCCl |
1.779 |
1.846 |
0.067 |
SF4 |
Sulfur tetrafluoride |
rSF |
1.646 |
1.713 |
0.067 |
KH |
Potassium hydride |
rKH |
2.243 |
2.309 |
0.066 |
SF4 |
Sulfur tetrafluoride |
rSF |
1.646 |
1.712 |
0.066 |
ClNO |
Nitrosyl chloride |
rNCl |
1.975 |
2.040 |
0.065 |
ZnCN |
Zinc monocyanide |
rCZn |
1.950 |
2.014 |
0.064 |
ClNO |
Nitrosyl chloride |
rNCl |
1.975 |
2.039 |
0.064 |
C4H6O2 |
2,3-Butanedione |
rCC |
1.507 |
1.570 |
0.063 |
SF6 |
Sulfur Hexafluoride |
rSF |
1.561 |
1.623 |
0.062 |
SF6 |
Sulfur Hexafluoride |
rSF |
1.561 |
1.623 |
0.062 |
C2H2+ |
acetylene cation |
rCC |
1.253 |
1.315 |
0.062 |
C2Cl4 |
Tetrachloroethylene |
rCC |
1.354 |
1.416 |
0.062 |
BHCl2 |
Borane, dichloro- |
rBH |
1.130 |
1.192 |
0.062 |
SF2 |
sulfur difluoride |
rSF |
1.587 |
1.649 |
0.061 |
SFCl |
Sulfur chloride fluoride |
rSCl |
1.994 |
2.055 |
0.061 |
SF2 |
sulfur difluoride |
rSF |
1.587 |
1.649 |
0.061 |
Cl2+ |
chlorine diatomic cation |
rClCl |
1.892 |
1.953 |
0.061 |
PF3 |
Phosphorus trifluoride |
rFP |
1.561 |
1.622 |
0.061 |
SiC |
silicon monocarbide |
rCSi |
1.722 |
1.783 |
0.061 |
ClFO3 |
Perchloryl fluoride |
rClO |
1.400 |
1.460 |
0.060 |
SeF4 |
Selenium tetrafluoride |
rFSe |
1.771 |
1.831 |
0.060 |
CH3CHClCH2CH3 |
Butane, 2-chloro- |
rCCl |
1.781 |
1.841 |
0.060 |
LiS |
Lithium monosulfide |
rLiS |
2.150 |
2.209 |
0.060 |
ClOOCl |
Dichlorine dioxide |
rOO |
1.426 |
1.366 |
-0.059 |
LiCl |
lithium chloride |
rLiCl |
2.021 |
2.080 |
0.059 |
SiF2 |
Silicon difluoride |
rFSi |
1.590 |
1.649 |
0.059 |
C4H6O2 |
2,3-Butanedione |
rCC |
1.507 |
1.566 |
0.059 |
LiCl |
lithium chloride |
rLiCl |
2.021 |
2.079 |
0.059 |
FNO |
Nitrosyl fluoride |
rNF |
1.512 |
1.571 |
0.059 |
SiF+ |
silicon monofluoride cation |
rFSi |
1.527 |
1.585 |
0.059 |
FNO |
Nitrosyl fluoride |
rNF |
1.512 |
1.570 |
0.058 |
SFCl |
Sulfur chloride fluoride |
rFS |
1.606 |
1.664 |
0.058 |
PF2 |
Phosphorus difluoride |
rPF |
1.579 |
1.637 |
0.058 |
SeO3 |
selenium trioxide |
rSeO |
1.688 |
1.630 |
-0.058 |
MgCl |
magnesium monochloride |
rMgCl |
2.199 |
2.257 |
0.058 |
BrF5 |
bromine pentafluoride |
rFBr |
1.689 |
1.747 |
0.058 |
PCl3 |
Phosphorus trichloride |
rPCl |
2.043 |
1.985 |
-0.058 |
BrF3 |
Bromine trifluoride |
rFBr |
1.721 |
1.778 |
0.057 |
MgH |
magnesium monohydride |
rMgH |
1.730 |
1.787 |
0.057 |
BrCl |
Bromine monochloride |
rClBr |
2.136 |
2.193 |
0.057 |
SiF2 |
Silicon difluoride |
rFSi |
1.590 |
1.647 |
0.057 |
GeF4 |
Germanium tetrafluoride |
rFGe |
1.670 |
1.727 |
0.057 |
GaF |
Gallium monofluoride |
rFGa |
1.774 |
1.831 |
0.057 |
MgH |
magnesium monohydride |
rMgH |
1.730 |
1.787 |
0.057 |
HSiCl |
Chlorosilylene |
rSiCl |
2.067 |
2.124 |
0.057 |
SCl |
sulfur monochloride |
rSCl |
1.975 |
2.032 |
0.057 |
GeF4 |
Germanium tetrafluoride |
rFGe |
1.670 |
1.726 |
0.056 |
CH3SSH |
Hydrogen methyl disulfide |
rSS |
2.038 |
2.094 |
0.056 |
SiF2 |
Silicon difluoride |
rFSi |
1.590 |
1.646 |
0.056 |
GaF |
Gallium monofluoride |
rFGa |
1.774 |
1.830 |
0.056 |
ScF |
Scandium monofluoride |
rFSc |
1.788 |
1.843 |
0.055 |
CH2ClCHCl2 |
1,1,2-trichloroethane |
rCC |
1.580 |
1.525 |
-0.055 |
BrCl |
Bromine monochloride |
rClBr |
2.136 |
2.191 |
0.055 |
AlF |
Aluminum monofluoride |
rAlF |
1.654 |
1.709 |
0.055 |
AlF |
Aluminum monofluoride |
rAlF |
1.654 |
1.709 |
0.055 |
SiBr |
Silicon monobromide |
rSiBr |
2.209 |
2.264 |
0.055 |
PCl5 |
Phosphorus pentachloride |
rPCl |
2.124 |
2.179 |
0.055 |
SF |
Monosulfur monofluoride |
rSF |
1.599 |
1.654 |
0.054 |
GeF+ |
Germanium monofluoride cation |
rFGe |
1.665 |
1.719 |
0.054 |
CH2BrF |
Methane, bromofluoro- |
rCBr |
1.915 |
1.968 |
0.053 |
SF |
Monosulfur monofluoride |
rSF |
1.599 |
1.652 |
0.053 |
SF5Cl |
sulfur chloropentafluoride |
rSCl |
2.030 |
2.083 |
0.053 |
SiCl |
Clorosilylidyne |
rSiCl |
2.061 |
2.114 |
0.053 |
CH3CHClCH3 |
Propane, 2-chloro- |
rCCl |
1.798 |
1.851 |
0.053 |
CH2CHCH2F |
Allyl Fluoride |
rCF |
1.370 |
1.423 |
0.053 |
CH2CHCH2F |
Allyl Fluoride |
rCF |
1.370 |
1.423 |
0.053 |
SiCl |
Clorosilylidyne |
rSiCl |
2.061 |
2.114 |
0.053 |
ClF |
Chlorine monofluoride |
rFCl |
1.628 |
1.681 |
0.052 |
SeF4 |
Selenium tetrafluoride |
rFSe |
1.682 |
1.734 |
0.052 |
CH3CHClCH3 |
Propane, 2-chloro- |
rCCl |
1.798 |
1.850 |
0.052 |
HSSSH |
trisulfane |
rSS |
2.053 |
2.105 |
0.052 |
HSSSH |
trisulfane |
rSS |
2.053 |
2.105 |
0.052 |
GeF |
Germanium monofluoride |
rFGe |
1.745 |
1.797 |
0.052 |
PF5 |
Phosphorus pentafluoride |
rPF |
1.534 |
1.586 |
0.052 |
PF5 |
Phosphorus pentafluoride |
rPF |
1.534 |
1.586 |
0.052 |
KOH |
Potassium hydroxide |
rOH |
0.912 |
0.963 |
0.051 |
P2+ |
phosphorus diatomic cation |
rPP |
1.986 |
2.037 |
0.051 |
LiBr |
Lithium Bromide |
rLiBr |
2.170 |
2.222 |
0.051 |
GeF |
Germanium monofluoride |
rFGe |
1.745 |
1.796 |
0.051 |
HSSSH |
trisulfane |
rSS |
2.054 |
2.105 |
0.051 |
HSSSH |
trisulfane |
rSS |
2.054 |
2.105 |
0.051 |
LiBr |
Lithium Bromide |
rLiBr |
2.170 |
2.221 |
0.051 |
C2H6O2S |
Dimethyl sulfone |
rSO |
1.431 |
1.482 |
0.051 |
HOSH |
hydrogen thioperoxide |
rSO |
1.662 |
1.713 |
0.051 |
CH3SOCH3 |
Dimethyl sulfoxide |
rCS |
1.799 |
1.850 |
0.051 |
C4H6 |
Methylenecyclopropane |
rCH |
1.088 |
1.037 |
-0.051 |
SO |
Sulfur monoxide |
rSO |
1.481 |
1.532 |
0.050 |
SO |
Sulfur monoxide |
rSO |
1.481 |
1.532 |
0.050 |
Br2 |
Bromine diatomic |
rBrBr |
2.281 |
2.331 |
0.050 |
HCO |
Formyl radical |
rCH |
1.080 |
1.130 |
0.050 |
SO |
Sulfur monoxide |
rSO |
1.481 |
1.531 |
0.050 |
SO |
Sulfur monoxide |
rSO |
1.481 |
1.531 |
0.050 |
HSSSH |
trisulfane |
rSS |
2.053 |
2.103 |
0.050 |
HSSSH |
trisulfane |
rSS |
2.053 |
2.103 |
0.050 |
GaCl3 |
Gallium trichloride |
rClGa |
2.180 |
2.130 |
-0.050 |
BrF3 |
Bromine trifluoride |
rFBr |
1.810 |
1.860 |
0.050 |
SO3 |
Sulfur trioxide |
rSO |
1.418 |
1.468 |
0.050 |
282 molecules.