Species |
Name |
Bond type |
Bond Length (Å) |
Experimental |
Calculated |
Difference |
Be2 |
Beryllium diatomic |
rBeBe |
2.460 |
6.921 |
4.461 |
Mg2 |
Magnesium diatomic |
rMgMg |
3.891 |
7.459 |
3.569 |
C4H6 |
1-Methylcyclopropene |
rCH |
1.085 |
4.170 |
3.085 |
C4H6 |
1-Methylcyclopropene |
rCH |
1.087 |
3.402 |
2.315 |
N2O3 |
Dinitrogen trioxide |
rNO |
1.142 |
3.226 |
2.084 |
FOO |
Dioxygen monofluoride radical |
rFO |
1.649 |
3.600 |
1.951 |
Ar2 |
Argon diatomic |
rArAr |
3.758 |
5.294 |
1.536 |
N2O3 |
Dinitrogen trioxide |
rNO |
1.202 |
2.368 |
1.166 |
C2H4O3 |
trioxolane124 |
rCN |
1.303 |
2.156 |
0.853 |
H2ONH3 |
Water Ammonia Dimer |
rNH |
2.983 |
2.152 |
-0.831 |
C4H6 |
1-Methylcyclopropene |
rCC |
1.476 |
2.241 |
0.765 |
N2O3 |
Dinitrogen trioxide |
rNN |
1.864 |
1.116 |
-0.748 |
CH3CH2SH |
ethanethiol |
rCH |
1.095 |
1.826 |
0.731 |
CH3CH2SH |
ethanethiol |
rCH |
1.095 |
1.826 |
0.731 |
CH3CH2SH |
ethanethiol |
rCH |
1.095 |
1.822 |
0.727 |
ONNO |
NO dimer |
rNN |
2.236 |
1.517 |
-0.719 |
C4H6 |
1-Methylcyclopropene |
rCH |
1.087 |
1.806 |
0.719 |
HSSSH |
trisulfane |
rHS |
1.344 |
2.059 |
0.716 |
HSSSH |
trisulfane |
rHS |
1.344 |
2.059 |
0.716 |
HSSSH |
trisulfane |
rHS |
1.344 |
2.059 |
0.715 |
HSSSH |
trisulfane |
rHS |
1.344 |
2.059 |
0.715 |
S4 |
Sulfur tetramer |
rSS |
2.155 |
2.860 |
0.705 |
C4H6 |
1-Methylcyclopropene |
rCH |
1.098 |
1.762 |
0.664 |
C4H6 |
1-Methylcyclopropene |
rCH |
1.098 |
1.748 |
0.650 |
Ne2 |
Neon diatomic |
rNeNe |
3.100 |
3.645 |
0.545 |
C4H4N2 |
Succinonitrile |
rCC |
1.561 |
1.081 |
-0.480 |
C4H10O |
Methyl propyl ether |
rCC |
1.530 |
1.085 |
-0.445 |
C4H6 |
1-Methylcyclopropene |
rCC |
1.515 |
1.082 |
-0.433 |
CH3CH2SH |
ethanethiol |
rCH |
1.089 |
1.522 |
0.433 |
CH3CH2SH |
ethanethiol |
rCH |
1.089 |
1.522 |
0.433 |
CH3CH2SH |
ethanethiol |
rCH |
1.089 |
1.520 |
0.431 |
CH3CH2SH |
ethanethiol |
rCH |
1.092 |
1.522 |
0.430 |
CH3CH2SH |
ethanethiol |
rCH |
1.092 |
1.522 |
0.430 |
CH3SO2NH2 |
methanesulfonamide |
rCN |
1.207 |
1.637 |
0.430 |
CH3CH2SH |
ethanethiol |
rCH |
1.092 |
1.520 |
0.428 |
C4H6 |
1-Methylcyclopropene |
rCH |
1.070 |
1.494 |
0.424 |
C2H4F2 |
1,2-difluoroethane |
rCH |
1.093 |
1.512 |
0.419 |
C2H4F2 |
1,2-difluoroethane |
rCH |
1.093 |
1.512 |
0.419 |
C4H4N2 |
Succinonitrile |
rCH |
1.123 |
1.535 |
0.413 |
Be2 |
Beryllium diatomic |
rBeBe |
2.460 |
2.048 |
-0.412 |
Be2 |
Beryllium diatomic |
rBeBe |
2.460 |
2.049 |
-0.411 |
C2H4F2 |
1,2-difluoroethane |
rCH |
1.093 |
1.502 |
0.409 |
C2H4F2 |
1,2-difluoroethane |
rCH |
1.093 |
1.502 |
0.409 |
N2O3 |
Dinitrogen trioxide |
rNO |
1.217 |
1.602 |
0.385 |
CH2CHCH2F |
Allyl Fluoride |
rHC |
1.130 |
1.495 |
0.365 |
CH2CHCH2F |
Allyl Fluoride |
rHC |
1.130 |
1.494 |
0.364 |
C4H4N2 |
Succinonitrile |
rCH |
1.111 |
1.467 |
0.356 |
C3H3NO |
Isoxazole |
rCH |
1.075 |
1.427 |
0.352 |
S4 |
Sulfur tetramer |
rSS |
2.155 |
2.476 |
0.321 |
GaP |
Gallium monophosphide |
rPGa |
2.450 |
2.148 |
-0.302 |
GaP |
Gallium monophosphide |
rPGa |
2.450 |
2.148 |
-0.302 |
GaP |
Gallium monophosphide |
rPGa |
2.450 |
2.148 |
-0.302 |
GaP |
Gallium monophosphide |
rPGa |
2.450 |
2.148 |
-0.302 |
CH3CH2SH |
ethanethiol |
rCS |
1.820 |
1.520 |
-0.300 |
Al2 |
Aluminum diatomic |
rAlAl |
2.701 |
3.000 |
0.299 |
CH3CH2SH |
ethanethiol |
rCS |
1.820 |
1.522 |
-0.298 |
CH3CH2SH |
ethanethiol |
rCS |
1.820 |
1.522 |
-0.298 |
CH3CH2SH |
ethanethiol |
rCC |
1.528 |
1.826 |
0.298 |
CH3CH2SH |
ethanethiol |
rCC |
1.528 |
1.826 |
0.298 |
CH3CH2SH |
ethanethiol |
rCC |
1.528 |
1.822 |
0.294 |
C4H10O |
Methyl propyl ether |
rCH |
1.099 |
1.389 |
0.290 |
AlP |
Aluminum monophosphide |
rAlP |
2.400 |
2.118 |
-0.282 |
AlP |
Aluminum monophosphide |
rAlP |
2.400 |
2.118 |
-0.282 |
AlP |
Aluminum monophosphide |
rAlP |
2.400 |
2.118 |
-0.282 |
Si2H2 |
disilyne |
rSiSi |
2.215 |
1.943 |
-0.272 |
B2 |
Boron diatomic |
rBB |
1.590 |
1.336 |
-0.254 |
Al2Cl6 |
Aluminum, di-μ-chlorotetrachlorodi- |
rAlCl |
2.040 |
2.287 |
0.247 |
C2H2+ |
acetylene cation |
rCH |
1.077 |
1.315 |
0.238 |
Si2H2 |
disilyne |
rSiH |
1.668 |
1.452 |
-0.216 |
S4 |
Sulfur tetramer |
rSS |
1.898 |
2.101 |
0.203 |
GaP |
Gallium monophosphide |
rPGa |
2.110 |
2.311 |
0.201 |
GaP |
Gallium monophosphide |
rPGa |
2.110 |
2.311 |
0.201 |
GaP |
Gallium monophosphide |
rPGa |
2.110 |
2.311 |
0.201 |
GaP |
Gallium monophosphide |
rPGa |
2.110 |
2.311 |
0.201 |
C4H6 |
1-Methylcyclopropene |
rCC |
1.300 |
1.496 |
0.196 |
N2O4 |
Dinitrogen tetroxide |
rNN |
1.782 |
1.592 |
-0.190 |
N2O4 |
Dinitrogen tetroxide |
rNN |
1.782 |
1.592 |
-0.190 |
Si2H2 |
disilyne |
rSiH |
1.668 |
1.480 |
-0.188 |
S4 |
Sulfur tetramer |
rSS |
2.155 |
1.969 |
-0.186 |
Si2 |
Silicon diatomic |
rSiSi |
2.246 |
2.060 |
-0.186 |
CHF2CHF2 |
1,1,2,2-tetrafluoroethane |
rCF |
1.359 |
1.518 |
0.159 |
VO |
Vanadium monoxide |
rVO |
1.589 |
1.747 |
0.157 |
Al2Cl6 |
Aluminum, di-μ-chlorotetrachlorodi- |
rAlCl |
2.240 |
2.085 |
-0.155 |
Al2 |
Aluminum diatomic |
rAlAl |
2.701 |
2.549 |
-0.152 |
Al2 |
Aluminum diatomic |
rAlAl |
2.701 |
2.549 |
-0.152 |
S3 |
Sulfur trimer |
rSS |
1.917 |
2.066 |
0.149 |
N2 |
Nitrogen diatomic |
rNN |
1.213 |
1.067 |
-0.146 |
N2 |
Nitrogen diatomic |
rNN |
1.213 |
1.067 |
-0.146 |
N2 |
Nitrogen diatomic |
rNN |
1.213 |
1.067 |
-0.146 |
N2 |
Nitrogen diatomic |
rNN |
1.213 |
1.067 |
-0.146 |
N2 |
Nitrogen diatomic |
rNN |
1.213 |
1.067 |
-0.146 |
N2 |
Nitrogen diatomic |
rNN |
1.213 |
1.067 |
-0.146 |
N2 |
Nitrogen diatomic |
rNN |
1.213 |
1.067 |
-0.146 |
N2 |
Nitrogen diatomic |
rNN |
1.213 |
1.067 |
-0.146 |
AlP |
Aluminum monophosphide |
rAlP |
2.260 |
2.118 |
-0.142 |
AlP |
Aluminum monophosphide |
rAlP |
2.260 |
2.118 |
-0.142 |
AlP |
Aluminum monophosphide |
rAlP |
2.260 |
2.118 |
-0.142 |
GaP |
Gallium monophosphide |
rPGa |
2.450 |
2.311 |
-0.139 |
GaP |
Gallium monophosphide |
rPGa |
2.450 |
2.311 |
-0.139 |
GaP |
Gallium monophosphide |
rPGa |
2.450 |
2.311 |
-0.139 |
GaP |
Gallium monophosphide |
rPGa |
2.450 |
2.311 |
-0.139 |
SeO3 |
selenium trioxide |
rSeO |
1.688 |
1.548 |
-0.139 |
AlP |
Aluminum monophosphide |
rAlP |
2.400 |
2.268 |
-0.132 |
AlP |
Aluminum monophosphide |
rAlP |
2.400 |
2.268 |
-0.132 |
AlP |
Aluminum monophosphide |
rAlP |
2.400 |
2.268 |
-0.132 |
AlP |
Aluminum monophosphide |
rAlP |
2.400 |
2.268 |
-0.132 |
AlP |
Aluminum monophosphide |
rAlP |
2.400 |
2.268 |
-0.132 |
AlP |
Aluminum monophosphide |
rAlP |
2.400 |
2.268 |
-0.132 |
Si2H2 |
disilyne |
rSiSi |
2.215 |
2.085 |
-0.130 |
Si2H2 |
disilyne |
rSiSi |
2.215 |
2.085 |
-0.130 |
FNO2 |
Nitryl fluoride |
rNF |
1.467 |
1.340 |
-0.127 |
FNO |
Nitrosyl fluoride |
rNF |
1.512 |
1.390 |
-0.122 |
FNO3 |
Fluorine nitrate |
rNO |
1.507 |
1.385 |
-0.122 |
FNO |
Nitrosyl fluoride |
rNF |
1.512 |
1.391 |
-0.121 |
Ar2+ |
Argon diatomic cation |
rArAr |
2.320 |
2.438 |
0.118 |
Na2 |
Sodium diatomic |
rNaNa |
3.079 |
3.194 |
0.115 |
Na2 |
Sodium diatomic |
rNaNa |
3.079 |
3.194 |
0.115 |
Li2 |
Lithium diatomic |
rLiLi |
2.673 |
2.784 |
0.111 |
Li2 |
Lithium diatomic |
rLiLi |
2.673 |
2.784 |
0.111 |
NaLi |
lithium sodium |
rLiNa |
2.889 |
2.999 |
0.110 |
NaLi |
lithium sodium |
rLiNa |
2.889 |
2.999 |
0.110 |
F2+ |
flourine diatomic cation |
rFF |
1.322 |
1.214 |
-0.108 |
F2+ |
flourine diatomic cation |
rFF |
1.322 |
1.214 |
-0.108 |
CuH |
Copper monohydride |
rCuH |
1.463 |
1.570 |
0.108 |
SiP |
Silicon monophosphide |
rSiP |
2.078 |
1.970 |
-0.107 |
AlP |
Aluminum monophosphide |
rAlP |
2.220 |
2.118 |
-0.102 |
AlP |
Aluminum monophosphide |
rAlP |
2.220 |
2.118 |
-0.102 |
AlP |
Aluminum monophosphide |
rAlP |
2.220 |
2.118 |
-0.102 |
GaP |
Gallium monophosphide |
rPGa |
2.250 |
2.148 |
-0.102 |
GaP |
Gallium monophosphide |
rPGa |
2.250 |
2.148 |
-0.102 |
GaP |
Gallium monophosphide |
rPGa |
2.250 |
2.148 |
-0.102 |
GaP |
Gallium monophosphide |
rPGa |
2.250 |
2.148 |
-0.102 |
Si2 |
Silicon diatomic |
rSiSi |
2.246 |
2.145 |
-0.101 |
HNO2 |
Nitrous acid |
rNO |
1.442 |
1.344 |
-0.098 |
ClF5 |
chlorinepentafluoride |
rFCl |
1.650 |
1.555 |
-0.095 |
NO3 |
Nitrogen trioxide |
rNO |
1.238 |
1.332 |
0.095 |
SiC |
silicon monocarbide |
rCSi |
1.722 |
1.628 |
-0.094 |
SiC |
silicon monocarbide |
rCSi |
1.722 |
1.628 |
-0.094 |
GaP |
Gallium monophosphide |
rPGa |
2.240 |
2.148 |
-0.092 |
GaP |
Gallium monophosphide |
rPGa |
2.240 |
2.148 |
-0.092 |
GaP |
Gallium monophosphide |
rPGa |
2.240 |
2.148 |
-0.092 |
GaP |
Gallium monophosphide |
rPGa |
2.240 |
2.148 |
-0.092 |
BN |
boron nitride |
rBN |
1.325 |
1.234 |
-0.091 |
BN |
boron nitride |
rBN |
1.325 |
1.234 |
-0.091 |
NaO |
sodium monoxide |
rONa |
2.052 |
1.962 |
-0.090 |
NaO |
sodium monoxide |
rONa |
2.052 |
1.962 |
-0.090 |
N2 |
Nitrogen diatomic |
rNN |
1.098 |
1.187 |
0.089 |
N2 |
Nitrogen diatomic |
rNN |
1.098 |
1.187 |
0.089 |
H2O2 |
Hydrogen peroxide |
rOO |
1.475 |
1.387 |
-0.088 |
H2O2 |
Hydrogen peroxide |
rOO |
1.475 |
1.387 |
-0.088 |
H2O2 |
Hydrogen peroxide |
rOO |
1.475 |
1.387 |
-0.088 |
Si2H2 |
disilyne |
rSiH |
1.668 |
1.756 |
0.088 |
F3NO |
Nitrogen trifluoride oxide |
rNF |
1.431 |
1.343 |
-0.088 |
B2 |
Boron diatomic |
rBB |
1.590 |
1.503 |
-0.087 |
B2 |
Boron diatomic |
rBB |
1.590 |
1.503 |
-0.087 |
B2 |
Boron diatomic |
rBB |
1.590 |
1.677 |
0.087 |
CH3CH(CH3)ONO |
Isopropyl nitrite |
rON |
1.414 |
1.329 |
-0.085 |
O3 |
Ozone |
rOO |
1.278 |
1.194 |
-0.084 |
O3 |
Ozone |
rOO |
1.278 |
1.194 |
-0.084 |
F2 |
Fluorine diatomic |
rFF |
1.412 |
1.328 |
-0.084 |
F2 |
Fluorine diatomic |
rFF |
1.412 |
1.328 |
-0.084 |
ClNO2 |
Nitryl chloride |
rNCl |
1.840 |
1.758 |
-0.082 |
CH2O2 |
Dioxirane |
rOO |
1.516 |
1.435 |
-0.081 |
ClF3 |
Chlorine trifluoride |
rFCl |
1.597 |
1.677 |
0.080 |
ClF3 |
Chlorine trifluoride |
rFCl |
1.597 |
1.677 |
0.080 |
H2O2 |
Hydrogen peroxide |
rOO |
1.475 |
1.395 |
-0.080 |
BH3CO |
Borane carbonyl |
rBC |
1.534 |
1.614 |
0.080 |
BH3CO |
Borane carbonyl |
rBC |
1.534 |
1.614 |
0.080 |
C3H3NO |
Isoxazole |
rCC |
1.356 |
1.277 |
-0.079 |
HOF |
Hypofluorous acid |
rFO |
1.442 |
1.364 |
-0.078 |
HOF |
Hypofluorous acid |
rFO |
1.442 |
1.364 |
-0.078 |
H2COO |
Dioxymethyl radical |
rCO |
1.272 |
1.196 |
-0.076 |
TiH |
Titanium monohydride |
rHTi |
1.785 |
1.860 |
0.076 |
CH3ONO |
Methyl nitrite |
rNO |
1.398 |
1.323 |
-0.075 |
SO2Cl2 |
Sulfuryl chloride |
rSCl |
2.076 |
2.001 |
-0.075 |
BO2 |
Boron dioxide |
rBO |
1.265 |
1.191 |
-0.074 |
BO2 |
Boron dioxide |
rBO |
1.265 |
1.191 |
-0.074 |
AlO |
Aluminum monoxide |
rAlO |
1.618 |
1.692 |
0.074 |
AlO |
Aluminum monoxide |
rAlO |
1.618 |
1.692 |
0.074 |
HNO3 |
Nitric acid |
rNO |
1.406 |
1.332 |
-0.074 |
HNO3 |
Nitric acid |
rNO |
1.406 |
1.332 |
-0.074 |
CH3NO3 |
Methyl nitrate |
rNO |
1.402 |
1.328 |
-0.074 |
Ne2+ |
Neon diatomic cation |
rNeNe |
1.765 |
1.692 |
-0.073 |
FNO3 |
Fluorine nitrate |
rFO |
1.409 |
1.336 |
-0.073 |
KrF2 |
Krypton difluoride |
rFKr |
1.875 |
1.803 |
-0.072 |
CH2SHCH2SH |
1,2-Ethanedithiol |
rSH |
1.400 |
1.329 |
-0.071 |
C2Cl2 |
dichloroacetylene |
rCC |
1.246 |
1.175 |
-0.071 |
GaP |
Gallium monophosphide |
rPGa |
2.240 |
2.311 |
0.071 |
GaP |
Gallium monophosphide |
rPGa |
2.240 |
2.311 |
0.071 |
GaP |
Gallium monophosphide |
rPGa |
2.240 |
2.311 |
0.071 |
GaP |
Gallium monophosphide |
rPGa |
2.240 |
2.311 |
0.071 |
F2O |
Difluorine monoxide |
rFO |
1.405 |
1.335 |
-0.070 |
ClOOCl |
Dichlorine dioxide |
rOO |
1.426 |
1.357 |
-0.069 |
CF3OF |
Trifluoromethylhypofluorite |
rOF |
1.421 |
1.353 |
-0.068 |
CF3OF |
Trifluoromethylhypofluorite |
rOF |
1.421 |
1.353 |
-0.068 |
HClO4 |
perchloric acid |
rOCl |
1.641 |
1.573 |
-0.068 |
HCF |
Fluoromethylene |
rCH |
1.138 |
1.073 |
-0.065 |
HCF |
Fluoromethylene |
rCH |
1.138 |
1.073 |
-0.065 |
ClOF3 |
Chlorine trifluoride oxide |
rFCl |
1.603 |
1.538 |
-0.065 |
B4H10 |
Tetraborane(10) |
rHB |
1.315 |
1.250 |
-0.065 |
CH2ClCHCl2 |
1,1,2-trichloroethane |
rCC |
1.580 |
1.515 |
-0.065 |
H2O3 |
Hydrogen trioxide |
rOO |
1.428 |
1.364 |
-0.064 |
C4H8O2 |
Ethyl acetate |
rCO |
1.448 |
1.511 |
0.063 |
NF2 |
Difluoroamino radical |
rNF |
1.370 |
1.307 |
-0.063 |
NF2 |
Difluoroamino radical |
rNF |
1.370 |
1.307 |
-0.063 |
TiCl |
Titanium Monochloride |
rClTi |
2.265 |
2.327 |
0.062 |
BH3PH3 |
borane phosphine |
rBP |
1.937 |
1.999 |
0.062 |
ClSSCl |
Disulfur dichloride |
rSS |
1.931 |
1.992 |
0.061 |
GaP |
Gallium monophosphide |
rPGa |
2.250 |
2.311 |
0.061 |
GaP |
Gallium monophosphide |
rPGa |
2.250 |
2.311 |
0.061 |
GaP |
Gallium monophosphide |
rPGa |
2.250 |
2.311 |
0.061 |
GaP |
Gallium monophosphide |
rPGa |
2.250 |
2.311 |
0.061 |
C5H8O |
2H-Pyran, 3,4-dihydro- |
rCO |
1.405 |
1.345 |
-0.060 |
HNO |
Nitrosyl hydride |
rNH |
1.090 |
1.030 |
-0.060 |
B4H10 |
Tetraborane(10) |
rHB |
1.484 |
1.424 |
-0.060 |
HNO |
Nitrosyl hydride |
rNH |
1.090 |
1.030 |
-0.060 |
BC |
boron monocarbide |
rBC |
1.491 |
1.431 |
-0.060 |
BC |
boron monocarbide |
rBC |
1.491 |
1.431 |
-0.060 |
CH3CSNH2 |
Ethanethioamide |
rHN |
1.050 |
0.991 |
-0.059 |
O2- |
oxygen diatomic anion |
rOO |
1.350 |
1.291 |
-0.059 |
O2- |
oxygen diatomic anion |
rOO |
1.350 |
1.291 |
-0.059 |
HPO |
Hydrogen phosphorus oxide |
rPO |
1.512 |
1.453 |
-0.059 |
B3N3H6 |
borazine |
rNH |
1.050 |
0.992 |
-0.058 |
C3H8O2 |
Propylene glycol |
rOH |
1.000 |
0.942 |
-0.058 |
N2F2 |
(Z)-Difluorodiazene |
rNF |
1.384 |
1.326 |
-0.058 |
GaAs |
Gallium arsenide |
rGaAs |
2.530 |
2.587 |
0.057 |
GaAs |
Gallium arsenide |
rGaAs |
2.530 |
2.587 |
0.057 |
GaCl3 |
Gallium trichloride |
rClGa |
2.180 |
2.123 |
-0.057 |
GaCl3 |
Gallium trichloride |
rClGa |
2.180 |
2.123 |
-0.057 |
ZnCN |
Zinc monocyanide |
rCZn |
1.950 |
2.007 |
0.057 |
CH3CHNOH |
Acetaldoxime |
rCC |
1.550 |
1.493 |
-0.057 |
C6H6 |
Fulvene |
rCH |
1.130 |
1.074 |
-0.056 |
NH2OH |
hydroxylamine |
rNO |
1.453 |
1.397 |
-0.056 |
NH2OH |
hydroxylamine |
rNO |
1.453 |
1.397 |
-0.056 |
NH2OH |
hydroxylamine |
rNO |
1.453 |
1.397 |
-0.056 |
NH2F |
monofluoroamine |
rNF |
1.433 |
1.377 |
-0.056 |
NHF2 |
difluoramine |
rNF |
1.400 |
1.345 |
-0.055 |
C3H8O2 |
1,3-Propanediol |
rCH |
1.140 |
1.085 |
-0.055 |
BeCl2 |
Beryllium chloride |
rBeCl |
1.750 |
1.805 |
0.055 |
C5H6 |
Bicyclo[2.1.0]pent-2-ene |
rCC |
1.560 |
1.505 |
-0.055 |
C3H5Cl3 |
Propane, 1,2,3-trichloro- |
rCH |
1.131 |
1.076 |
-0.055 |
CFCl |
chlorofluoromethylene |
rCF |
1.320 |
1.265 |
-0.055 |
O2+ |
diatomic oxygen cation |
rOO |
1.116 |
1.062 |
-0.054 |
O2+ |
diatomic oxygen cation |
rOO |
1.116 |
1.062 |
-0.054 |
C6H5OCH3 |
Anisole |
rCO |
1.399 |
1.345 |
-0.054 |
CO |
Carbon monoxide |
rCO |
1.128 |
1.182 |
0.054 |
C5H6 |
Propellane |
rCC |
1.596 |
1.542 |
-0.054 |
C5H12O |
Butane, 1-methoxy- |
rCO |
1.448 |
1.394 |
-0.054 |
CH3CH2NH2 |
Ethylamine |
rNH |
1.052 |
0.998 |
-0.054 |
ClOF3 |
Chlorine trifluoride oxide |
rFCl |
1.713 |
1.659 |
-0.054 |
BH |
Boron monohydride |
rBH |
1.232 |
1.179 |
-0.054 |
P2+ |
phosphorus diatomic cation |
rPP |
1.986 |
1.933 |
-0.053 |
HOBr |
Hypobromous acid |
rBrO |
1.834 |
1.781 |
-0.053 |
HOBr |
Hypobromous acid |
rBrO |
1.834 |
1.781 |
-0.053 |
CH3CHNOH |
Acetaldoxime |
rCC |
1.550 |
1.497 |
-0.053 |
C5H10 |
2-Pentene, (E)- |
rCC |
1.576 |
1.523 |
-0.053 |
AlN |
Aluminum nitride |
rNAl |
1.786 |
1.734 |
-0.053 |
BrNO |
Nitrosyl bromide |
rNO |
1.146 |
1.093 |
-0.053 |
O2 |
Oxygen diatomic |
rOO |
1.208 |
1.155 |
-0.053 |
ClNO |
Nitrosyl chloride |
rNCl |
1.975 |
1.923 |
-0.052 |
ClFO3 |
Perchloryl fluoride |
rFCl |
1.598 |
1.546 |
-0.052 |
BrF3 |
Bromine trifluoride |
rFBr |
1.721 |
1.669 |
-0.052 |
FSSF |
Difluorodisulfane |
rSS |
1.890 |
1.942 |
0.052 |
SO |
Sulfur monoxide |
rOS |
1.500 |
1.449 |
-0.051 |
SO |
Sulfur monoxide |
rOS |
1.500 |
1.449 |
-0.051 |
SO |
Sulfur monoxide |
rOS |
1.500 |
1.449 |
-0.051 |
SO |
Sulfur monoxide |
rOS |
1.500 |
1.449 |
-0.051 |
ClNO |
Nitrosyl chloride |
rNCl |
1.975 |
1.925 |
-0.050 |
SeO2 |
Selenium dioxide |
rSeO |
1.607 |
1.557 |
-0.050 |
269 molecules.