Species |
Name |
Bond type |
Bond Length (Å) |
Experimental |
unc. |
Calculated |
Difference |
atom1 |
atom2 |
SiP |
Silicon monophosphide |
rSiP |
2.078 |
±0.002 |
1.995 |
-0.083 |
1 |
2 |
C5H10 |
2-Pentene, (E)- |
rCC |
1.576 |
|
1.528 |
-0.048 |
11 |
15 |
C5H6 |
Bicyclo[2.1.0]pent-2-ene |
rCC |
1.560 |
|
1.513 |
-0.047 |
3 |
5 |
C4H5N |
Cyclopropanecarbonitrile |
rCC |
1.472 |
|
1.444 |
-0.028 |
6 |
8 |
C5H10 |
2-Pentene, (Z)- |
rCC |
1.561 |
|
1.534 |
-0.027 |
1 |
5 |
C2H2O2 |
Ethanedial |
rCH |
1.132 |
|
1.106 |
-0.026 |
1 |
3 |
C5H5N |
Bicyclo[1.1.0]butane-1-carbonitrile |
rCC |
1.514 |
|
1.492 |
-0.022 |
3 |
9 |
CH3OCl |
methyl hypochlorite |
rCH |
1.111 |
±0.018 |
1.092 |
-0.019 |
3 |
4 |
C4H5N |
Cyclopropanecarbonitrile |
rCC |
1.513 |
|
1.496 |
-0.017 |
9 |
10 |
C4H8O2 |
Ethyl acetate |
rCH |
1.105 |
|
1.088 |
-0.017 |
1 |
7 |
C4H5NO |
3-Methylisoxazole |
rCC |
1.514 |
|
1.497 |
-0.016 |
1 |
8 |
C4H4N2 |
1,3-Diazine |
rC:N |
1.350 |
|
1.334 |
-0.016 |
3 |
5 |
C6H12 |
(E)-3-methylpent-2-ene |
rCC |
1.551 |
|
1.536 |
-0.015 |
9 |
12 |
C5H5N |
Bicyclo[1.1.0]butane-1-carbonitrile |
rCC |
1.518 |
|
1.503 |
-0.015 |
3 |
7 |
C4H5NO |
Isoxazole, 5-methyl- |
rCC |
1.505 |
|
1.492 |
-0.014 |
1 |
5 |
C3H8O2 |
1,3-Propanediol |
rOH |
0.980 |
|
0.968 |
-0.012 |
6 |
8 |
B2H6 |
Diborane |
rBH |
1.200 |
|
1.189 |
-0.011 |
1 |
5 |
CH3ONO |
Methyl nitrite |
rCH |
1.102 |
|
1.092 |
-0.010 |
1 |
4 |
C3H8O2 |
Methane, dimethoxy- |
rCO |
1.432 |
|
1.422 |
-0.010 |
4 |
6 |
GaAs |
Gallium arsenide |
rGa#As |
2.530 |
±0.020 |
2.520 |
-0.010 |
1 |
2 |
C5H9N |
Pentanenitrile |
rCC |
1.478 |
|
1.469 |
-0.009 |
4 |
6 |
C3H6O |
Propylene oxide |
rCC |
1.513 |
|
1.504 |
-0.009 |
2 |
6 |
C5H12O |
Butane, 1-methoxy- |
rCO |
1.415 |
|
1.406 |
-0.009 |
3 |
4 |
LiF |
lithium fluoride |
rLiF |
1.564 |
±0.000 |
1.555 |
-0.009 |
1 |
2 |
C2H3Cl |
Ethene, chloro- |
rCH |
1.090 |
|
1.082 |
-0.008 |
1 |
4 |
C4H4N2 |
1,3-Diazine |
rCH |
1.087 |
|
1.079 |
-0.008 |
1 |
7 |
C5H6 |
1-Buten-3-yne, 2-methyl- |
rCC |
1.445 |
|
1.437 |
-0.008 |
7 |
8 |
SiH2Cl2 |
dichlorosilane |
rSiH |
1.480 |
±0.015 |
1.473 |
-0.007 |
1 |
2 |
B2H6 |
Diborane |
rBH |
1.320 |
|
1.313 |
-0.007 |
1 |
3 |
CH3NH2 |
methyl amine |
rCN |
1.471 |
±0.003 |
1.464 |
-0.007 |
1 |
2 |
C2H2O2 |
Ethanedial |
rCC |
1.526 |
|
1.519 |
-0.007 |
1 |
2 |
C8H8 |
cubane |
rCH |
1.097 |
|
1.091 |
-0.006 |
1 |
9 |
C5H8 |
Cyclopentene |
rCC |
1.518 |
|
1.512 |
-0.006 |
2 |
4 |
C5H6 |
Bicyclo[2.1.0]pent-2-ene |
rCC |
1.530 |
|
1.524 |
-0.006 |
1 |
3 |
CH3CH2OH |
Ethanol |
rCH |
1.098 |
|
1.092 |
-0.006 |
1 |
6 |
CH2CHCH2CH2Cl |
1-Butene, 4-chloro- |
rCC |
1.508 |
|
1.503 |
-0.005 |
2 |
6 |
C3H7SH |
1-Propanethiol |
rCC |
1.529 |
|
1.524 |
-0.005 |
7 |
10 |
C4H4N2 |
1,3-Diazine |
rCH |
1.082 |
|
1.077 |
-0.005 |
2 |
8 |
CH2C(CH3)OCH3 |
1-Propene, 2-methoxy- |
rCH |
1.087 |
|
1.083 |
-0.004 |
11 |
12 |
CH3CHO |
Acetaldehyde |
rCH |
1.114 |
|
1.110 |
-0.004 |
1 |
4 |
CH3CH(NH2)COOH |
Alanine |
rCC |
1.544 |
|
1.540 |
-0.004 |
3 |
4 |
CH3OCHO |
methyl formate |
rCH |
1.101 |
|
1.097 |
-0.004 |
3 |
8 |
H2CSe |
Selenoformaldehyde |
rHC |
1.090 |
|
1.087 |
-0.003 |
1 |
3 |
CH3ONO |
Methyl nitrite |
rCH |
1.090 |
|
1.087 |
-0.003 |
1 |
3 |
H2CSe |
Selenoformaldehyde |
rC=Se |
1.753 |
|
1.750 |
-0.003 |
1 |
2 |
CH3NO |
nitrosomethane |
rCH |
1.094 |
|
1.092 |
-0.002 |
1 |
4 |
CH2NN |
diazomethane |
rC=N |
1.300 |
|
1.298 |
-0.002 |
1 |
2 |
CH2CO |
Ketene |
rCH |
1.083 |
|
1.080 |
-0.002 |
1 |
4 |
CHF3 |
Methane, trifluoro- |
rCH |
1.091 |
±0.014 |
1.089 |
-0.002 |
1 |
2 |
C6H5OH |
phenol |
rC:C |
1.398 |
|
1.396 |
-0.002 |
1 |
2 |
OCSe |
Carbonyl selenide |
rC=Se |
1.709 |
|
1.707 |
-0.002 |
1 |
3 |
C4H8O2 |
Ethyl acetate |
rCC |
1.515 |
|
1.514 |
-0.001 |
5 |
6 |
NH2F |
monofluoroamine |
rNF |
1.433 |
|
1.432 |
-0.001 |
1 |
2 |
CH3NH2 |
methyl amine |
rNH |
1.018 |
±0.001 |
1.017 |
-0.001 |
2 |
6 |
C5H10 |
Cyclopropane, 1,1-dimethyl- |
rCC |
1.514 |
|
1.513 |
-0.001 |
1 |
4 |
HSiCl |
Chlorosilylene |
rSiH |
1.525 |
±0.005 |
1.525 |
0.000 |
1 |
3 |
CH3OCH3 |
Dimethyl ether |
rCO |
1.411 |
±0.001 |
1.411 |
0.000 |
1 |
2 |
C4H8O2 |
Ethyl acetate |
rCC |
1.508 |
|
1.508 |
0.000 |
1 |
2 |
C6H8 |
1,4-Cyclohexadiene |
rCH |
1.100 |
|
1.100 |
0.000 |
1 |
11 |
CH2O2 |
Dioxirane |
rCH |
1.090 |
±0.002 |
1.090 |
0.000 |
1 |
2 |
C3H8 |
Propane |
rCH |
1.096 |
|
1.096 |
0.000 |
1 |
4 |
C4H4N2 |
1,3-Diazine |
rCH |
1.079 |
|
1.079 |
0.000 |
3 |
9 |
CH3CHClCH3 |
Propane, 2-chloro- |
rCH |
1.091 |
|
1.091 |
0.000 |
2 |
5 |
C4H8 |
cyclobutane |
rCH |
1.093 |
|
1.094 |
0.000 |
1 |
5 |
CH3OCH3 |
Dimethyl ether |
rCH |
1.099 |
±0.001 |
1.100 |
0.001 |
2 |
6 |
CH2Cl2 |
Methylene chloride |
rCH |
1.085 |
±0.002 |
1.086 |
0.001 |
1 |
2 |
C4H10O |
Propane, 2-methoxy- |
rCO |
1.422 |
|
1.423 |
0.001 |
5 |
14 |
C2H2+ |
acetylene cation |
rC=C |
1.253 |
±0.001 |
1.254 |
0.001 |
1 |
2 |
NH2BHNH2 |
diaminoborane |
rNH |
1.005 |
±0.005 |
1.006 |
0.001 |
3 |
5 |
As4 |
Arsenic tetramer |
rAsAs |
2.435 |
|
2.436 |
0.001 |
1 |
2 |
C3H4O |
Methylketene |
rCH |
1.083 |
|
1.084 |
0.001 |
2 |
5 |
CH3OCHO |
methyl formate |
rCH |
1.086 |
|
1.087 |
0.001 |
1 |
5 |
C3H6 |
Cyclopropane |
rCH |
1.083 |
|
1.084 |
0.001 |
1 |
4 |
CH3NO |
nitrosomethane |
rCH |
1.092 |
|
1.094 |
0.002 |
1 |
5 |
CH2C(CH3)OCH3 |
1-Propene, 2-methoxy- |
rCO |
1.416 |
|
1.418 |
0.002 |
1 |
5 |
HCl+ |
hydrogen chloride cation |
rHCl |
1.315 |
|
1.316 |
0.002 |
1 |
2 |
CH2CHF |
Ethene, fluoro- |
rCH |
1.082 |
|
1.084 |
0.002 |
1 |
4 |
HOCl |
hypochlorous acid |
rOH |
0.973 |
±0.002 |
0.975 |
0.002 |
1 |
2 |
C2H2 |
Acetylene |
rCH |
1.063 |
|
1.065 |
0.002 |
1 |
3 |
C4H6O |
Cyclobutanone |
rCC |
1.556 |
|
1.558 |
0.002 |
3 |
5 |
C4H8 |
cyclobutane |
rCH |
1.091 |
|
1.093 |
0.002 |
1 |
6 |
C6H5OH |
phenol |
rCH |
1.082 |
|
1.084 |
0.002 |
4 |
11 |
C5H10 |
2-Pentene, (Z)- |
rCH |
1.092 |
|
1.094 |
0.002 |
1 |
2 |
C4H5N |
(E)-2-Butenenitrile |
rCC |
1.432 |
|
1.434 |
0.002 |
8 |
10 |
SiH4 |
Silane |
rSiH |
1.480 |
±0.000 |
1.482 |
0.003 |
1 |
2 |
C6H5OH |
phenol |
rCH |
1.084 |
|
1.087 |
0.003 |
2 |
9 |
LiBr |
Lithium Bromide |
rLiBr |
2.170 |
±0.000 |
2.173 |
0.003 |
1 |
2 |
HO2 |
Hydroperoxy radical |
rOO |
1.331 |
|
1.333 |
0.003 |
1 |
2 |
CH3CHClCH3 |
Propane, 2-chloro- |
rCH |
1.092 |
|
1.095 |
0.003 |
3 |
6 |
C3H7SH |
1-Propanethiol |
rCH |
1.092 |
|
1.095 |
0.003 |
5 |
7 |
CH3ONO |
Methyl nitrite |
rCO |
1.437 |
|
1.440 |
0.003 |
1 |
2 |
SiH3Cl |
chlorosilane |
rSiH |
1.475 |
|
1.478 |
0.003 |
1 |
3 |
CH2NN |
diazomethane |
rCH |
1.075 |
|
1.078 |
0.003 |
1 |
4 |
C4H10O |
Propane, 2-methoxy- |
rCH |
1.095 |
|
1.098 |
0.003 |
1 |
2 |
CH3CH2Cl |
Ethyl chloride |
rCH |
1.086 |
|
1.090 |
0.004 |
2 |
7 |
CH4 |
Methane |
rCH |
1.087 |
±0.001 |
1.091 |
0.004 |
1 |
2 |
CH3ONO |
Methyl nitrite |
rNO |
1.398 |
|
1.402 |
0.004 |
2 |
6 |
C3H4 |
cyclopropene |
rCH |
1.088 |
|
1.092 |
0.004 |
1 |
6 |
CH3OCHO |
methyl formate |
rCO |
1.437 |
|
1.441 |
0.004 |
1 |
2 |
C2H3Cl |
Ethene, chloro- |
rCH |
1.079 |
|
1.083 |
0.004 |
2 |
5 |
CH3Br |
methyl bromide |
rCH |
1.082 |
±0.001 |
1.086 |
0.004 |
1 |
3 |
CH3CHO |
Acetaldehyde |
rCH |
1.086 |
|
1.090 |
0.004 |
2 |
5 |
C2H2+ |
acetylene cation |
rCH |
1.077 |
±0.005 |
1.081 |
0.004 |
1 |
3 |
CH3CH2Cl |
Ethyl chloride |
rCH |
1.090 |
|
1.095 |
0.004 |
1 |
3 |
SiH3F |
monofluorosilane |
rSiH |
1.476 |
|
1.480 |
0.004 |
1 |
3 |
NH2BHNH2 |
diaminoborane |
rBH |
1.193 |
±0.001 |
1.197 |
0.004 |
1 |
2 |
C3H6 |
Cyclopropane |
rCC |
1.501 |
|
1.506 |
0.005 |
1 |
2 |
CH2O2 |
Dioxirane |
rCO |
1.388 |
±0.004 |
1.392 |
0.005 |
1 |
4 |
CH2CHF |
Ethene, fluoro- |
rCH |
1.077 |
|
1.082 |
0.005 |
2 |
5 |
C5H10 |
Cyclopropane, 1,1-dimethyl- |
rCH |
1.080 |
|
1.085 |
0.005 |
2 |
6 |
CH2O2 |
Dioxirane |
rOO |
1.516 |
±0.003 |
1.521 |
0.005 |
4 |
5 |
CH3CH2OH |
Ethanol |
rCH |
1.088 |
|
1.094 |
0.006 |
1 |
5 |
CH |
Methylidyne |
rCH |
1.120 |
|
1.126 |
0.006 |
1 |
2 |
CH3OCH3 |
Dimethyl ether |
rCH |
1.085 |
±0.001 |
1.091 |
0.006 |
2 |
4 |
HNO3 |
Nitric acid |
rNO |
1.406 |
|
1.412 |
0.006 |
1 |
2 |
C3H4 |
cyclopropene |
rCH |
1.072 |
|
1.078 |
0.006 |
2 |
4 |
LiNH2 |
lithium amide |
rLiN |
1.736 |
±0.003 |
1.742 |
0.006 |
1 |
2 |
C2H2 |
Acetylene |
rC#C |
1.203 |
|
1.209 |
0.007 |
1 |
2 |
CBr4 |
Carbon tetrabromide |
rCBr |
1.942 |
±0.002 |
1.949 |
0.007 |
1 |
2 |
HNCNH |
diiminomethane |
rC=N |
1.224 |
±0.001 |
1.231 |
0.007 |
1 |
2 |
GaF |
Gallium monofluoride |
rFGa |
1.774 |
±0.000 |
1.782 |
0.007 |
1 |
2 |
CH3OCl |
methyl hypochlorite |
rCH |
1.086 |
±0.018 |
1.094 |
0.008 |
3 |
5 |
PH |
phosphorus monohydride |
rPH |
1.422 |
|
1.430 |
0.008 |
1 |
2 |
H2CS |
Thioformaldehyde |
rC=S |
1.611 |
|
1.619 |
0.008 |
1 |
2 |
CH2F2 |
Methane, difluoro- |
rCH |
1.084 |
±0.003 |
1.092 |
0.008 |
1 |
2 |
BF |
Boron monofluoride |
rBF |
1.267 |
±0.000 |
1.275 |
0.008 |
1 |
2 |
C6H5OH |
phenol |
rCO |
1.364 |
|
1.372 |
0.008 |
1 |
7 |
CH3NH2 |
methyl amine |
rCH |
1.093 |
±0.000 |
1.101 |
0.008 |
1 |
3 |
C6H5OH |
phenol |
rCH |
1.076 |
|
1.085 |
0.009 |
3 |
10 |
C4H8O2 |
Ethyl acetate |
rCO |
1.345 |
|
1.354 |
0.009 |
2 |
3 |
C3H7SH |
1-Propanethiol |
rCH |
1.090 |
|
1.099 |
0.009 |
8 |
10 |
CH3OCHO |
methyl formate |
rCO |
1.334 |
|
1.343 |
0.009 |
2 |
3 |
H2O |
Water |
rOH |
0.958 |
±0.000 |
0.967 |
0.009 |
1 |
2 |
C3H4O |
Methylketene |
rCH |
1.083 |
|
1.092 |
0.009 |
3 |
6 |
HCl |
Hydrogen chloride |
rHCl |
1.275 |
±0.000 |
1.284 |
0.009 |
1 |
2 |
CCl2O |
Phosgene |
rC=O |
1.177 |
|
1.186 |
0.009 |
1 |
2 |
C5H7N |
Cyclobutanecarbonitrile |
rCC |
1.551 |
|
1.561 |
0.010 |
3 |
6 |
OH |
Hydroxyl radical |
rOH |
0.970 |
|
0.980 |
0.010 |
1 |
2 |
C10H8 |
naphthalene |
rC:C |
1.410 |
|
1.420 |
0.010 |
2 |
3 |
CH2F2 |
Methane, difluoro- |
rCF |
1.351 |
±0.001 |
1.361 |
0.010 |
1 |
4 |
OCSe |
Carbonyl selenide |
rC=O |
1.159 |
|
1.169 |
0.010 |
1 |
2 |
C5H8O |
2H-Pyran, 3,4-dihydro- |
rCC |
1.516 |
|
1.527 |
0.011 |
10 |
13 |
C4H4N2 |
1,3-Diazine |
rC:N |
1.328 |
|
1.339 |
0.011 |
2 |
6 |
C5H10 |
2-Pentene, (Z)- |
rCC |
1.490 |
|
1.501 |
0.011 |
8 |
14 |
CSe |
Carbon monoselenide |
rC=Se |
1.676 |
±0.000 |
1.687 |
0.011 |
1 |
2 |
SiH |
Silylidyne |
rSiH |
1.520 |
|
1.531 |
0.011 |
1 |
2 |
C4H8O2 |
Ethyl acetate |
rC=O |
1.203 |
|
1.214 |
0.011 |
2 |
4 |
HO2 |
Hydroperoxy radical |
rOH |
0.971 |
|
0.982 |
0.011 |
1 |
3 |
CN |
Cyano radical |
rC#N |
1.172 |
|
1.183 |
0.011 |
1 |
2 |
GaBr |
Gallium monobromide |
rGaBr |
2.352 |
±0.000 |
2.364 |
0.012 |
1 |
2 |
C4H6O |
Cyclobutanone |
rCC |
1.527 |
|
1.539 |
0.012 |
2 |
3 |
HSe |
Selenium monohydride |
rSeH |
1.475 |
±0.010 |
1.487 |
0.012 |
1 |
2 |
AsH |
Arsenic monohydride |
rAsH |
1.535 |
±0.001 |
1.547 |
0.012 |
1 |
2 |
CH2NN |
diazomethane |
rN=N |
1.139 |
|
1.151 |
0.012 |
2 |
3 |
SiH2F2 |
difluorosilane |
rSiH |
1.462 |
|
1.474 |
0.012 |
1 |
4 |
CHF3 |
Methane, trifluoro- |
rCF |
1.328 |
±0.003 |
1.341 |
0.012 |
1 |
3 |
AlF |
Aluminum monofluoride |
rAlF |
1.654 |
±0.000 |
1.667 |
0.013 |
1 |
2 |
CH2CO |
Ketene |
rC=O |
1.162 |
|
1.175 |
0.013 |
2 |
3 |
CH2Cl2 |
Methylene chloride |
rCCl |
1.767 |
±0.002 |
1.780 |
0.013 |
1 |
4 |
CH3CH2OH |
Ethanol |
rCH |
1.086 |
|
1.100 |
0.014 |
2 |
8 |
GeBr4 |
Germanium tetrabromide |
rGeBr |
2.272 |
±0.001 |
2.286 |
0.014 |
1 |
2 |
HF |
Hydrogen fluoride |
rHF |
0.917 |
±0.000 |
0.932 |
0.015 |
1 |
2 |
HF+ |
hydrogen fluoride cation |
rHF |
1.014 |
|
1.030 |
0.016 |
1 |
2 |
CH3ONO |
Methyl nitrite |
rN=O |
1.182 |
|
1.198 |
0.016 |
6 |
7 |
N2 |
Nitrogen diatomic |
rN#N |
1.098 |
|
1.114 |
0.016 |
1 |
2 |
PF5 |
Phosphorus pentafluoride |
rFP |
1.577 |
|
1.594 |
0.017 |
1 |
5 |
ClO |
Monochlorine monoxide |
rClO |
1.596 |
±0.001 |
1.613 |
0.017 |
1 |
2 |
AlNC |
Aluminum isocyanide |
rAlN |
1.855 |
±0.005 |
1.872 |
0.018 |
1 |
2 |
SiH3Cl |
chlorosilane |
rSiCl |
2.051 |
|
2.068 |
0.018 |
1 |
2 |
SiH3F |
monofluorosilane |
rSiF |
1.595 |
|
1.612 |
0.018 |
1 |
2 |
HBr+ |
hydrogen bromide cation |
rHBr |
1.448 |
|
1.467 |
0.018 |
1 |
2 |
GeF |
Germanium monofluoride |
rFGe |
1.745 |
|
1.764 |
0.019 |
1 |
2 |
O2 |
Oxygen diatomic |
rO=O |
1.208 |
|
1.226 |
0.019 |
1 |
2 |
CH3CH(NH2)COOH |
Alanine |
rCC |
1.509 |
|
1.528 |
0.019 |
2 |
3 |
GeH3F |
monofluorogermane |
rGeF |
1.731 |
±0.000 |
1.750 |
0.019 |
1 |
2 |
CCl2O |
Phosgene |
rCCl |
1.737 |
|
1.756 |
0.020 |
2 |
3 |
OH- |
hydroxide anion |
rOH |
0.964 |
|
0.984 |
0.020 |
1 |
2 |
NaLi |
lithium sodium |
rLiNa |
2.889 |
|
2.909 |
0.020 |
1 |
2 |
PN |
Phosphorus mononitride |
rP#N |
1.491 |
|
1.511 |
0.020 |
1 |
2 |
PS |
phosphorus sulfide |
rP=S |
1.900 |
|
1.921 |
0.021 |
1 |
2 |
C3H8O2 |
Methane, dimethoxy- |
rCO |
1.382 |
|
1.403 |
0.021 |
1 |
4 |
SF4 |
Sulfur tetrafluoride |
rSF |
1.646 |
±0.003 |
1.667 |
0.021 |
1 |
2 |
SiH2Cl2 |
dichlorosilane |
rSiCl |
2.033 |
±0.003 |
2.054 |
0.021 |
1 |
4 |
SiS |
silicon monosulfide |
rSiS |
1.929 |
±0.000 |
1.951 |
0.021 |
1 |
2 |
MgH |
magnesium monohydride |
rMgH |
1.730 |
|
1.751 |
0.022 |
1 |
2 |
CH3Br |
methyl bromide |
rCBr |
1.934 |
±0.000 |
1.957 |
0.023 |
1 |
2 |
C5H10 |
2-Pentene, (E)- |
rCC |
1.484 |
|
1.507 |
0.023 |
4 |
11 |
CH2C(CH3)OCH3 |
1-Propene, 2-methoxy- |
rCO |
1.353 |
|
1.376 |
0.023 |
5 |
10 |
GeH3F |
monofluorogermane |
rGeH |
1.515 |
±0.000 |
1.538 |
0.023 |
1 |
3 |
SiO |
Silicon monoxide |
rSiO |
1.510 |
±0.000 |
1.533 |
0.023 |
1 |
2 |
SiF2 |
Silicon difluoride |
rFSi |
1.590 |
±0.000 |
1.614 |
0.024 |
1 |
2 |
GeH |
germylidene |
rGeH |
1.588 |
|
1.612 |
0.024 |
1 |
2 |
HOCl |
hypochlorous acid |
rClO |
1.697 |
±0.001 |
1.722 |
0.024 |
1 |
3 |
Se2 |
Selenium diatomic |
rSe=Se |
2.166 |
±0.001 |
2.192 |
0.026 |
1 |
2 |
BrF |
Bromine monofluoride |
rFBr |
1.759 |
±0.000 |
1.785 |
0.026 |
1 |
2 |
SeCl2 |
Selenium Dichloride |
rClSe |
2.157 |
±0.003 |
2.183 |
0.026 |
1 |
2 |
AsH3 |
Arsine |
rAsH |
1.511 |
±0.000 |
1.537 |
0.026 |
1 |
2 |
C3O2 |
Carbon suboxide |
rC=C |
1.251 |
|
1.278 |
0.027 |
1 |
2 |
PF2 |
Phosphorus difluoride |
rPF |
1.579 |
|
1.607 |
0.028 |
1 |
2 |
SF |
Monosulfur monofluoride |
rSF |
1.599 |
|
1.627 |
0.028 |
1 |
2 |
SiCl |
Clorosilylidyne |
rSiCl |
2.061 |
±0.000 |
2.090 |
0.028 |
1 |
2 |
HSiCl |
Chlorosilylene |
rSiCl |
2.067 |
±0.003 |
2.096 |
0.029 |
1 |
2 |
SO+ |
sulfur monoxide cation |
rO=S |
1.424 |
|
1.453 |
0.029 |
1 |
2 |
C3O2 |
Carbon suboxide |
rC=O |
1.146 |
|
1.176 |
0.030 |
2 |
4 |
LiH |
Lithium Hydride |
rLiH |
1.595 |
±0.000 |
1.625 |
0.030 |
1 |
2 |
HSSSH |
trisulfane |
rSS |
2.054 |
±0.000 |
2.084 |
0.030 |
1 |
2 |
PO |
Phosphorus monoxide |
rP=O |
1.476 |
|
1.508 |
0.032 |
1 |
2 |
PF5 |
Phosphorus pentafluoride |
rPF |
1.534 |
|
1.566 |
0.032 |
1 |
2 |
C5H10 |
2-Pentene, (Z)- |
rCH |
1.058 |
|
1.090 |
0.032 |
12 |
13 |
KrH+ |
Protonated Krypton |
rHKr |
1.421 |
±0.000 |
1.453 |
0.032 |
1 |
2 |
Br2 |
Bromine diatomic |
rBrBr |
2.281 |
|
2.314 |
0.033 |
1 |
2 |
SeO |
Selenium monoxide |
rSeO |
1.639 |
±0.001 |
1.673 |
0.034 |
1 |
2 |
LiCl |
lithium chloride |
rLiCl |
2.021 |
±0.000 |
2.055 |
0.035 |
1 |
2 |
BrO |
Bromine monoxide |
rOBr |
1.718 |
|
1.753 |
0.036 |
1 |
2 |
GeCl |
Germanium monochloride |
rClGe |
2.164 |
±0.000 |
2.199 |
0.036 |
1 |
2 |
S2 |
Sulfur diatomic |
rS=S |
1.889 |
|
1.925 |
0.036 |
1 |
2 |
GeO |
Germanium monoxide |
rOGe |
1.625 |
|
1.661 |
0.036 |
1 |
2 |
BrCl |
Bromine monochloride |
rClBr |
2.136 |
±0.000 |
2.174 |
0.038 |
1 |
2 |
PO- |
phosphorus monoxide anion |
rOP |
1.540 |
|
1.579 |
0.039 |
1 |
2 |
SSO |
Disulfur monoxide |
rS=O |
1.456 |
|
1.497 |
0.041 |
1 |
2 |
SO |
Sulfur monoxide |
rS=O |
1.481 |
|
1.522 |
0.041 |
1 |
2 |
SSO |
Disulfur monoxide |
rS=S |
1.884 |
|
1.926 |
0.042 |
2 |
3 |
SF4 |
Sulfur tetrafluoride |
rSF |
1.545 |
±0.003 |
1.588 |
0.043 |
1 |
4 |
KH |
Potassium hydride |
rKH |
2.243 |
±0.001 |
2.293 |
0.050 |
1 |
2 |
C4H8O2 |
Ethyl acetate |
rCO |
1.448 |
|
1.514 |
0.066 |
5 |
6 |
CaO |
Calcium monoxide |
rOCa |
1.822 |
|
2.048 |
0.226 |
1 |
2 |
226 molecules.