Species |
Name |
Bond type |
Bond Length (Å) |
Experimental |
Calculated |
Difference |
Be2 |
Beryllium diatomic |
rBeBe |
2.460 |
6.389 |
3.929 |
C4H6 |
1-Methylcyclopropene |
rCH |
1.085 |
4.178 |
3.093 |
Mg2 |
Magnesium diatomic |
rMgMg |
3.891 |
6.960 |
3.069 |
C4H6 |
1-Methylcyclopropene |
rCH |
1.087 |
3.410 |
2.323 |
FOO |
Dioxygen monofluoride radical |
rFO |
1.649 |
3.126 |
1.477 |
Ar2 |
Argon diatomic |
rArAr |
3.758 |
4.920 |
1.162 |
C2H4O3 |
trioxolane124 |
rCN |
1.303 |
2.155 |
0.852 |
C4H6 |
1-Methylcyclopropene |
rCC |
1.476 |
2.246 |
0.770 |
CH3CH2SH |
ethanethiol |
rCH |
1.095 |
1.829 |
0.734 |
CH3CH2SH |
ethanethiol |
rCH |
1.095 |
1.829 |
0.734 |
CH3CH2SH |
ethanethiol |
rCH |
1.095 |
1.825 |
0.730 |
HSSSH |
trisulfane |
rHS |
1.344 |
2.073 |
0.729 |
HSSSH |
trisulfane |
rHS |
1.344 |
2.073 |
0.729 |
HSSSH |
trisulfane |
rHS |
1.344 |
2.073 |
0.729 |
HSSSH |
trisulfane |
rHS |
1.344 |
2.073 |
0.729 |
C4H6 |
1-Methylcyclopropene |
rCH |
1.087 |
1.810 |
0.723 |
ONNO |
NO dimer |
rNN |
2.236 |
1.513 |
-0.723 |
S4 |
Sulfur tetramer |
rSS |
2.155 |
2.877 |
0.722 |
C4H6 |
1-Methylcyclopropene |
rCH |
1.098 |
1.765 |
0.667 |
C4H6 |
1-Methylcyclopropene |
rCH |
1.098 |
1.752 |
0.654 |
C4H4N2 |
Succinonitrile |
rCC |
1.561 |
1.083 |
-0.478 |
C4H10O |
Methyl propyl ether |
rCC |
1.530 |
1.087 |
-0.443 |
CH3SO2NH2 |
methanesulfonamide |
rCN |
1.207 |
1.644 |
0.437 |
CH3CH2SH |
ethanethiol |
rCH |
1.089 |
1.524 |
0.435 |
CH3CH2SH |
ethanethiol |
rCH |
1.089 |
1.524 |
0.435 |
CH3CH2SH |
ethanethiol |
rCH |
1.089 |
1.523 |
0.434 |
CH3CH2SH |
ethanethiol |
rCH |
1.092 |
1.524 |
0.432 |
CH3CH2SH |
ethanethiol |
rCH |
1.092 |
1.524 |
0.432 |
CH3CH2SH |
ethanethiol |
rCH |
1.092 |
1.523 |
0.431 |
C4H6 |
1-Methylcyclopropene |
rCC |
1.515 |
1.084 |
-0.431 |
C4H6 |
1-Methylcyclopropene |
rCH |
1.070 |
1.498 |
0.428 |
C2H4F2 |
1,2-difluoroethane |
rCH |
1.093 |
1.511 |
0.418 |
C4H4N2 |
Succinonitrile |
rCH |
1.123 |
1.537 |
0.415 |
Be2 |
Beryllium diatomic |
rBeBe |
2.460 |
2.049 |
-0.411 |
Be2 |
Beryllium diatomic |
rBeBe |
2.460 |
2.049 |
-0.411 |
C2H4F2 |
1,2-difluoroethane |
rCH |
1.093 |
1.502 |
0.409 |
CH2CHCH2F |
Allyl Fluoride |
rHC |
1.130 |
1.497 |
0.367 |
CH2CHCH2F |
Allyl Fluoride |
rHC |
1.130 |
1.496 |
0.366 |
S4 |
Sulfur tetramer |
rSS |
2.155 |
2.515 |
0.360 |
C4H4N2 |
Succinonitrile |
rCH |
1.111 |
1.468 |
0.357 |
C3H3NO |
Isoxazole |
rCH |
1.075 |
1.429 |
0.354 |
Al2 |
Aluminum diatomic |
rAlAl |
2.701 |
3.020 |
0.319 |
GaP |
Gallium monophosphide |
rPGa |
2.450 |
2.141 |
-0.309 |
GaP |
Gallium monophosphide |
rPGa |
2.450 |
2.141 |
-0.309 |
GaP |
Gallium monophosphide |
rPGa |
2.450 |
2.141 |
-0.309 |
GaP |
Gallium monophosphide |
rPGa |
2.450 |
2.141 |
-0.309 |
CH3CH2SH |
ethanethiol |
rCC |
1.528 |
1.829 |
0.301 |
CH3CH2SH |
ethanethiol |
rCC |
1.528 |
1.829 |
0.301 |
AlP |
Aluminum monophosphide |
rAlP |
2.400 |
2.102 |
-0.298 |
AlP |
Aluminum monophosphide |
rAlP |
2.400 |
2.102 |
-0.298 |
AlP |
Aluminum monophosphide |
rAlP |
2.400 |
2.102 |
-0.298 |
CH3CH2SH |
ethanethiol |
rCC |
1.528 |
1.825 |
0.297 |
CH3CH2SH |
ethanethiol |
rCS |
1.820 |
1.523 |
-0.297 |
CH3CH2SH |
ethanethiol |
rCS |
1.820 |
1.524 |
-0.296 |
CH3CH2SH |
ethanethiol |
rCS |
1.820 |
1.524 |
-0.296 |
K2 |
Potassium diatomic |
rKK |
3.905 |
4.198 |
0.293 |
C4H10O |
Methyl propyl ether |
rCH |
1.099 |
1.391 |
0.292 |
Si2H2 |
disilyne |
rSiSi |
2.215 |
1.939 |
-0.277 |
N2O3 |
Dinitrogen trioxide |
rNN |
1.864 |
1.590 |
-0.274 |
B2 |
Boron diatomic |
rBB |
1.590 |
1.338 |
-0.252 |
C2H2+ |
acetylene cation |
rCH |
1.077 |
1.318 |
0.241 |
LiK |
Lithium Potassium |
rLiK |
3.270 |
3.509 |
0.239 |
Al2Cl6 |
Aluminum, di-μ-chlorotetrachlorodi- |
rAlCl |
2.040 |
2.278 |
0.238 |
Si2H2 |
disilyne |
rSiH |
1.668 |
1.451 |
-0.217 |
S4 |
Sulfur tetramer |
rSS |
1.898 |
2.113 |
0.215 |
Ne2 |
Neon diatomic |
rNeNe |
3.100 |
2.894 |
-0.206 |
C4H6 |
1-Methylcyclopropene |
rCC |
1.300 |
1.499 |
0.199 |
Si2 |
Silicon diatomic |
rSiSi |
2.246 |
2.051 |
-0.195 |
GaP |
Gallium monophosphide |
rPGa |
2.110 |
2.305 |
0.195 |
GaP |
Gallium monophosphide |
rPGa |
2.110 |
2.305 |
0.195 |
GaP |
Gallium monophosphide |
rPGa |
2.110 |
2.305 |
0.195 |
GaP |
Gallium monophosphide |
rPGa |
2.110 |
2.305 |
0.195 |
N2O4 |
Dinitrogen tetroxide |
rNN |
1.782 |
1.588 |
-0.194 |
N2O4 |
Dinitrogen tetroxide |
rNN |
1.782 |
1.588 |
-0.194 |
Si2H2 |
disilyne |
rSiH |
1.668 |
1.478 |
-0.190 |
ZnS |
Zinc sulfide |
rSZn |
2.046 |
2.213 |
0.167 |
Ar2+ |
Argon diatomic cation |
rArAr |
2.320 |
2.486 |
0.166 |
Al2Cl6 |
Aluminum, di-μ-chlorotetrachlorodi- |
rAlCl |
2.240 |
2.077 |
-0.163 |
S4 |
Sulfur tetramer |
rSS |
2.155 |
1.996 |
-0.159 |
S3 |
Sulfur trimer |
rSS |
1.917 |
2.075 |
0.158 |
AlP |
Aluminum monophosphide |
rAlP |
2.260 |
2.102 |
-0.158 |
AlP |
Aluminum monophosphide |
rAlP |
2.260 |
2.102 |
-0.158 |
AlP |
Aluminum monophosphide |
rAlP |
2.260 |
2.102 |
-0.158 |
Cu2 |
Copper diatomic |
rCuCu |
2.220 |
2.374 |
0.154 |
CHF2CHF2 |
1,1,2,2-tetrafluoroethane |
rCF |
1.359 |
1.512 |
0.153 |
GaP |
Gallium monophosphide |
rPGa |
2.450 |
2.305 |
-0.145 |
GaP |
Gallium monophosphide |
rPGa |
2.450 |
2.305 |
-0.145 |
GaP |
Gallium monophosphide |
rPGa |
2.450 |
2.305 |
-0.145 |
GaP |
Gallium monophosphide |
rPGa |
2.450 |
2.305 |
-0.145 |
N2 |
Nitrogen diatomic |
rNN |
1.213 |
1.070 |
-0.142 |
N2 |
Nitrogen diatomic |
rNN |
1.213 |
1.070 |
-0.142 |
N2 |
Nitrogen diatomic |
rNN |
1.213 |
1.070 |
-0.142 |
N2 |
Nitrogen diatomic |
rNN |
1.213 |
1.070 |
-0.142 |
N2 |
Nitrogen diatomic |
rNN |
1.213 |
1.070 |
-0.142 |
N2 |
Nitrogen diatomic |
rNN |
1.213 |
1.070 |
-0.142 |
N2 |
Nitrogen diatomic |
rNN |
1.213 |
1.070 |
-0.142 |
N2 |
Nitrogen diatomic |
rNN |
1.213 |
1.070 |
-0.142 |
AlP |
Aluminum monophosphide |
rAlP |
2.400 |
2.262 |
-0.138 |
AlP |
Aluminum monophosphide |
rAlP |
2.400 |
2.262 |
-0.138 |
AlP |
Aluminum monophosphide |
rAlP |
2.400 |
2.262 |
-0.138 |
AlP |
Aluminum monophosphide |
rAlP |
2.400 |
2.262 |
-0.138 |
AlP |
Aluminum monophosphide |
rAlP |
2.400 |
2.262 |
-0.138 |
AlP |
Aluminum monophosphide |
rAlP |
2.400 |
2.262 |
-0.138 |
Si2H2 |
disilyne |
rSiSi |
2.215 |
2.080 |
-0.135 |
Si2H2 |
disilyne |
rSiSi |
2.215 |
2.082 |
-0.134 |
CuCl |
Copper monochloride |
rCuCl |
2.051 |
2.183 |
0.132 |
FNO |
Nitrosyl fluoride |
rNF |
1.512 |
1.381 |
-0.131 |
SeO3 |
selenium trioxide |
rSeO |
1.688 |
1.558 |
-0.130 |
FNO |
Nitrosyl fluoride |
rNF |
1.512 |
1.382 |
-0.130 |
FNO2 |
Nitryl fluoride |
rNF |
1.467 |
1.339 |
-0.128 |
FNO3 |
Fluorine nitrate |
rNO |
1.507 |
1.387 |
-0.120 |
AlP |
Aluminum monophosphide |
rAlP |
2.220 |
2.102 |
-0.118 |
AlP |
Aluminum monophosphide |
rAlP |
2.220 |
2.102 |
-0.118 |
AlP |
Aluminum monophosphide |
rAlP |
2.220 |
2.102 |
-0.118 |
Na2 |
Sodium diatomic |
rNaNa |
3.079 |
3.194 |
0.116 |
Na2 |
Sodium diatomic |
rNaNa |
3.079 |
3.194 |
0.116 |
NaO |
sodium monoxide |
rONa |
2.052 |
1.936 |
-0.115 |
NaO |
sodium monoxide |
rONa |
2.052 |
1.936 |
-0.115 |
SiP |
Silicon monophosphide |
rSiP |
2.078 |
1.962 |
-0.115 |
ClF3 |
Chlorine trifluoride |
rFCl |
1.597 |
1.709 |
0.113 |
ClF3 |
Chlorine trifluoride |
rFCl |
1.597 |
1.709 |
0.113 |
F2+ |
flourine diatomic cation |
rFF |
1.322 |
1.210 |
-0.112 |
F2+ |
flourine diatomic cation |
rFF |
1.322 |
1.210 |
-0.112 |
VO |
Vanadium monoxide |
rVO |
1.589 |
1.701 |
0.112 |
NaLi |
lithium sodium |
rLiNa |
2.889 |
3.001 |
0.112 |
NaLi |
lithium sodium |
rLiNa |
2.889 |
3.001 |
0.112 |
Li2 |
Lithium diatomic |
rLiLi |
2.673 |
2.784 |
0.111 |
Li2 |
Lithium diatomic |
rLiLi |
2.673 |
2.784 |
0.111 |
GaP |
Gallium monophosphide |
rPGa |
2.250 |
2.141 |
-0.109 |
GaP |
Gallium monophosphide |
rPGa |
2.250 |
2.141 |
-0.109 |
GaP |
Gallium monophosphide |
rPGa |
2.250 |
2.141 |
-0.109 |
GaP |
Gallium monophosphide |
rPGa |
2.250 |
2.141 |
-0.109 |
Si2 |
Silicon diatomic |
rSiSi |
2.246 |
2.141 |
-0.105 |
NaK |
Sodium Potassium |
rNaK |
3.589 |
3.690 |
0.101 |
GaP |
Gallium monophosphide |
rPGa |
2.240 |
2.141 |
-0.099 |
GaP |
Gallium monophosphide |
rPGa |
2.240 |
2.141 |
-0.099 |
GaP |
Gallium monophosphide |
rPGa |
2.240 |
2.141 |
-0.099 |
GaP |
Gallium monophosphide |
rPGa |
2.240 |
2.141 |
-0.099 |
SiC |
silicon monocarbide |
rCSi |
1.722 |
1.623 |
-0.098 |
SiC |
silicon monocarbide |
rCSi |
1.722 |
1.623 |
-0.098 |
HNO2 |
Nitrous acid |
rNO |
1.442 |
1.344 |
-0.098 |
NO3 |
Nitrogen trioxide |
rNO |
1.238 |
1.332 |
0.094 |
BN |
boron nitride |
rBN |
1.325 |
1.232 |
-0.093 |
BN |
boron nitride |
rBN |
1.325 |
1.232 |
-0.093 |
N2 |
Nitrogen diatomic |
rNN |
1.098 |
1.189 |
0.091 |
N2 |
Nitrogen diatomic |
rNN |
1.098 |
1.189 |
0.091 |
KBr |
Potassium Bromide |
rKBr |
2.821 |
2.912 |
0.091 |
H2O2 |
Hydrogen peroxide |
rOO |
1.475 |
1.386 |
-0.089 |
H2O2 |
Hydrogen peroxide |
rOO |
1.475 |
1.386 |
-0.089 |
H2O2 |
Hydrogen peroxide |
rOO |
1.475 |
1.386 |
-0.089 |
F3NO |
Nitrogen trifluoride oxide |
rNF |
1.431 |
1.342 |
-0.089 |
CaBr |
Calcium monobromide |
rCaBr |
2.594 |
2.681 |
0.087 |
KCl |
Potassium Chloride |
rKCl |
2.667 |
2.754 |
0.087 |
B2 |
Boron diatomic |
rBB |
1.590 |
1.677 |
0.087 |
B2 |
Boron diatomic |
rBB |
1.590 |
1.504 |
-0.086 |
B2 |
Boron diatomic |
rBB |
1.590 |
1.504 |
-0.086 |
BH3CO |
Borane carbonyl |
rBC |
1.534 |
1.619 |
0.085 |
BH3CO |
Borane carbonyl |
rBC |
1.534 |
1.619 |
0.085 |
O3 |
Ozone |
rOO |
1.278 |
1.194 |
-0.084 |
O3 |
Ozone |
rOO |
1.278 |
1.194 |
-0.084 |
CH2O2 |
Dioxirane |
rOO |
1.516 |
1.432 |
-0.083 |
CaCl |
calcium monochloride |
rClCa |
2.437 |
2.520 |
0.083 |
CH3CH(CH3)ONO |
Isopropyl nitrite |
rON |
1.414 |
1.333 |
-0.081 |
H2O2 |
Hydrogen peroxide |
rOO |
1.475 |
1.394 |
-0.081 |
F2 |
Fluorine diatomic |
rFF |
1.412 |
1.331 |
-0.081 |
F2 |
Fluorine diatomic |
rFF |
1.412 |
1.331 |
-0.081 |
HOF |
Hypofluorous acid |
rFO |
1.442 |
1.362 |
-0.080 |
HOF |
Hypofluorous acid |
rFO |
1.442 |
1.362 |
-0.080 |
AlO |
Aluminum monoxide |
rAlO |
1.618 |
1.697 |
0.079 |
AlO |
Aluminum monoxide |
rAlO |
1.618 |
1.697 |
0.079 |
ClSSCl |
Disulfur dichloride |
rSS |
1.931 |
2.010 |
0.079 |
CuO |
Copper Monoxide |
rCuO |
1.724 |
1.803 |
0.079 |
C2H5NO3 |
Nitric acid, ethyl ester |
rNO |
1.407 |
1.328 |
-0.079 |
C3H3NO |
Isoxazole |
rCC |
1.356 |
1.279 |
-0.077 |
ClOOCl |
Dichlorine dioxide |
rOO |
1.426 |
1.349 |
-0.077 |
H2COO |
Dioxymethyl radical |
rCO |
1.272 |
1.195 |
-0.077 |
BO2 |
Boron dioxide |
rBO |
1.265 |
1.189 |
-0.076 |
BO2 |
Boron dioxide |
rBO |
1.265 |
1.189 |
-0.076 |
CH3ONO |
Methyl nitrite |
rNO |
1.398 |
1.322 |
-0.076 |
BH3PH3 |
borane phosphine |
rBP |
1.937 |
2.013 |
0.076 |
Si2H2 |
disilyne |
rSiH |
1.668 |
1.744 |
0.076 |
FNO3 |
Fluorine nitrate |
rFO |
1.409 |
1.335 |
-0.074 |
HNO3 |
Nitric acid |
rNO |
1.406 |
1.333 |
-0.073 |
HNO3 |
Nitric acid |
rNO |
1.406 |
1.333 |
-0.073 |
CH3NO3 |
Methyl nitrate |
rNO |
1.402 |
1.330 |
-0.072 |
F2O |
Difluorine monoxide |
rFO |
1.405 |
1.334 |
-0.071 |
NBr |
nitrogen monobromide |
rNBr |
1.765 |
1.835 |
0.070 |
CF3OF |
Trifluoromethylhypofluorite |
rOF |
1.421 |
1.352 |
-0.069 |
CF3OF |
Trifluoromethylhypofluorite |
rOF |
1.421 |
1.352 |
-0.069 |
CH2SHCH2SH |
1,2-Ethanedithiol |
rSH |
1.400 |
1.331 |
-0.069 |
C2Cl2 |
dichloroacetylene |
rCC |
1.246 |
1.177 |
-0.069 |
ClNO2 |
Nitryl chloride |
rNCl |
1.840 |
1.772 |
-0.068 |
FSSF |
Difluorodisulfane |
rSS |
1.890 |
1.957 |
0.067 |
H2O3 |
Hydrogen trioxide |
rOO |
1.428 |
1.362 |
-0.066 |
GaP |
Gallium monophosphide |
rPGa |
2.240 |
2.305 |
0.065 |
GaP |
Gallium monophosphide |
rPGa |
2.240 |
2.305 |
0.065 |
GaP |
Gallium monophosphide |
rPGa |
2.240 |
2.305 |
0.065 |
GaP |
Gallium monophosphide |
rPGa |
2.240 |
2.305 |
0.065 |
C4H8O2 |
Ethyl acetate |
rCO |
1.448 |
1.512 |
0.064 |
SO2Cl2 |
Sulfuryl chloride |
rSCl |
2.076 |
2.012 |
-0.064 |
KH |
Potassium hydride |
rKH |
2.243 |
2.307 |
0.064 |
KH |
Potassium hydride |
rKH |
2.243 |
2.307 |
0.064 |
CuF |
Copper monofluoride |
rCuF |
1.745 |
1.809 |
0.064 |
NF2 |
Difluoroamino radical |
rNF |
1.370 |
1.306 |
-0.064 |
NF2 |
Difluoroamino radical |
rNF |
1.370 |
1.306 |
-0.064 |
HCF |
Fluoromethylene |
rCH |
1.138 |
1.074 |
-0.064 |
Al2 |
Aluminum diatomic |
rAlAl |
2.701 |
2.764 |
0.063 |
Al2 |
Aluminum diatomic |
rAlAl |
2.701 |
2.764 |
0.063 |
CH2ClCHCl2 |
1,1,2-trichloroethane |
rCC |
1.580 |
1.518 |
-0.062 |
B4H10 |
Tetraborane(10) |
rHB |
1.315 |
1.253 |
-0.062 |
BrO |
Bromine monoxide |
rOBr |
1.718 |
1.780 |
0.062 |
BrO |
Bromine monoxide |
rOBr |
1.718 |
1.780 |
0.062 |
P2+ |
phosphorus diatomic cation |
rPP |
1.986 |
1.924 |
-0.062 |
O2- |
oxygen diatomic anion |
rOO |
1.350 |
1.290 |
-0.060 |
O2- |
oxygen diatomic anion |
rOO |
1.350 |
1.290 |
-0.060 |
BC |
boron monocarbide |
rBC |
1.491 |
1.431 |
-0.060 |
GaCl3 |
Gallium trichloride |
rClGa |
2.180 |
2.121 |
-0.060 |
GaCl3 |
Gallium trichloride |
rClGa |
2.180 |
2.121 |
-0.060 |
AlN |
Aluminum nitride |
rNAl |
1.786 |
1.727 |
-0.060 |
CO |
Carbon monoxide |
rCO |
1.128 |
1.187 |
0.059 |
HNO |
Nitrosyl hydride |
rNH |
1.090 |
1.032 |
-0.058 |
HNO |
Nitrosyl hydride |
rNH |
1.090 |
1.032 |
-0.058 |
C3H8O2 |
Propylene glycol |
rOH |
1.000 |
0.942 |
-0.058 |
C5H8O |
2H-Pyran, 3,4-dihydro- |
rCO |
1.405 |
1.347 |
-0.058 |
NH2F |
monofluoroamine |
rNF |
1.433 |
1.375 |
-0.058 |
HPO |
Hydrogen phosphorus oxide |
rPO |
1.512 |
1.454 |
-0.058 |
N2F2 |
(Z)-Difluorodiazene |
rNF |
1.384 |
1.326 |
-0.058 |
GaAs |
Gallium arsenide |
rGaAs |
2.530 |
2.588 |
0.058 |
GaAs |
Gallium arsenide |
rGaAs |
2.530 |
2.588 |
0.058 |
NHF2 |
difluoramine |
rNF |
1.400 |
1.343 |
-0.057 |
CH3CSNH2 |
Ethanethioamide |
rHN |
1.050 |
0.993 |
-0.057 |
CuH |
Copper monohydride |
rCuH |
1.463 |
1.519 |
0.056 |
CuH |
Copper monohydride |
rCuH |
1.463 |
1.519 |
0.056 |
NS |
Mononitrogen monosulfide |
rNS |
1.497 |
1.553 |
0.056 |
NH2OH |
hydroxylamine |
rNO |
1.453 |
1.397 |
-0.056 |
B3N3H6 |
borazine |
rNH |
1.050 |
0.994 |
-0.056 |
PS |
phosphorus sulfide |
rPS |
1.900 |
1.956 |
0.056 |
PS |
phosphorus sulfide |
rPS |
1.900 |
1.956 |
0.056 |
SiP |
Silicon monophosphide |
rSiP |
2.078 |
2.133 |
0.056 |
NH2OH |
hydroxylamine |
rNO |
1.453 |
1.397 |
-0.056 |
NH2OH |
hydroxylamine |
rNO |
1.453 |
1.397 |
-0.056 |
O2+ |
diatomic oxygen cation |
rOO |
1.116 |
1.061 |
-0.055 |
O2+ |
diatomic oxygen cation |
rOO |
1.116 |
1.061 |
-0.055 |
B4H10 |
Tetraborane(10) |
rHB |
1.484 |
1.429 |
-0.055 |
BC |
boron monocarbide |
rBC |
1.491 |
1.436 |
-0.055 |
ClF5 |
chlorinepentafluoride |
rFCl |
1.650 |
1.595 |
-0.055 |
GaP |
Gallium monophosphide |
rPGa |
2.250 |
2.305 |
0.055 |
GaP |
Gallium monophosphide |
rPGa |
2.250 |
2.305 |
0.055 |
GaP |
Gallium monophosphide |
rPGa |
2.250 |
2.305 |
0.055 |
GaP |
Gallium monophosphide |
rPGa |
2.250 |
2.305 |
0.055 |
BrNO |
Nitrosyl bromide |
rNO |
1.146 |
1.091 |
-0.055 |
NCl |
nitrogen monochloride |
rNCl |
1.611 |
1.665 |
0.054 |
NCl |
nitrogen monochloride |
rNCl |
1.611 |
1.665 |
0.054 |
C6H6 |
Fulvene |
rCH |
1.130 |
1.076 |
-0.054 |
CH3CHNOH |
Acetaldoxime |
rCC |
1.550 |
1.496 |
-0.054 |
O2 |
Oxygen diatomic |
rOO |
1.208 |
1.154 |
-0.054 |
C3H8O2 |
1,3-Propanediol |
rCH |
1.140 |
1.086 |
-0.054 |
C3H5Cl3 |
Propane, 1,2,3-trichloro- |
rCH |
1.131 |
1.078 |
-0.053 |
ClS2 |
Sulfur chloride |
rSS |
1.906 |
1.959 |
0.053 |
ZnCN |
Zinc monocyanide |
rCZn |
1.950 |
2.003 |
0.053 |
C5H12O |
Butane, 1-methoxy- |
rCO |
1.448 |
1.395 |
-0.053 |
GaBr |
Gallium monobromide |
rGaBr |
2.352 |
2.405 |
0.053 |
NS |
Mononitrogen monosulfide |
rNS |
1.497 |
1.550 |
0.053 |
CFCl |
chlorofluoromethylene |
rCF |
1.320 |
1.268 |
-0.052 |
BH |
Boron monohydride |
rBH |
1.232 |
1.180 |
-0.052 |
BeCl2 |
Beryllium chloride |
rBeCl |
1.750 |
1.802 |
0.052 |
C6H5OCH3 |
Anisole |
rCO |
1.399 |
1.347 |
-0.052 |
C5H6 |
Bicyclo[2.1.0]pent-2-ene |
rCC |
1.560 |
1.508 |
-0.052 |
CaH |
Calcium monohydride |
rCaH |
2.003 |
2.054 |
0.051 |
CaH |
Calcium monohydride |
rCaH |
2.003 |
2.054 |
0.051 |
SiBr |
Silicon monobromide |
rSiBr |
2.209 |
2.260 |
0.051 |
CH3CH2NH2 |
Ethylamine |
rNH |
1.052 |
1.001 |
-0.051 |
GaO |
Gallium monoxide |
rOGa |
1.743 |
1.794 |
0.051 |
CH3CHNOH |
Acetaldoxime |
rCC |
1.550 |
1.499 |
-0.051 |
GaO |
Gallium monoxide |
rOGa |
1.743 |
1.794 |
0.051 |
O2 |
Oxygen diatomic |
rOO |
1.208 |
1.157 |
-0.051 |
O2 |
Oxygen diatomic |
rOO |
1.208 |
1.157 |
-0.051 |
O2 |
Oxygen diatomic |
rOO |
1.208 |
1.157 |
-0.051 |
C5H10 |
2-Pentene, (E)- |
rCC |
1.576 |
1.526 |
-0.050 |
279 molecules.