Species |
Name |
Bond type |
Bond Length (Å) |
Experimental |
Calculated |
Difference |
CH3COCH2CH3 |
2-Butanone |
rCO |
1.218 |
4.690 |
3.472 |
CH3COCH2CH3 |
2-Butanone |
rCH |
1.091 |
4.242 |
3.151 |
CH3COCH2CH3 |
2-Butanone |
rCH |
1.096 |
4.242 |
3.146 |
C4H6 |
1-Methylcyclopropene |
rCH |
1.085 |
4.192 |
3.107 |
C5H8 |
Cyclobutane, methylene- |
rCH |
1.101 |
3.800 |
2.699 |
C4H6 |
1-Methylcyclopropene |
rCH |
1.087 |
3.419 |
2.332 |
CH3ONO |
Methyl nitrite |
rNO |
1.398 |
3.628 |
2.230 |
C4H6S |
Thiophene, 2,5-dihydro- |
rCH |
1.085 |
3.139 |
2.054 |
CH3COCH2CH3 |
2-Butanone |
rCH |
1.093 |
3.139 |
2.046 |
CH3COCH2CH3 |
2-Butanone |
rCH |
1.093 |
3.078 |
1.985 |
C5H6 |
1,3-Cyclopentadiene |
rCC |
1.340 |
3.313 |
1.973 |
CH3CHCHCH3 |
2-Butene, (Z)- |
rCC |
1.346 |
3.193 |
1.847 |
CH3CH2NH2 |
Ethylamine |
rNH |
1.052 |
2.692 |
1.640 |
CH3CHCHCH3 |
2-Butene, (E)- |
rCC |
1.508 |
3.034 |
1.526 |
CH3COCH2CH3 |
2-Butanone |
rCH |
1.095 |
2.610 |
1.515 |
C5H8 |
Cyclobutane, methylene- |
rCC |
1.331 |
2.802 |
1.471 |
CH3CH2NH2 |
Ethylamine |
rCH |
1.107 |
2.475 |
1.368 |
Mg2 |
Magnesium diatomic |
rMgMg |
3.891 |
2.524 |
-1.366 |
Mg2 |
Magnesium diatomic |
rMgMg |
3.891 |
2.524 |
-1.366 |
FOO |
Dioxygen monofluoride radical |
rFO |
1.649 |
2.896 |
1.247 |
CH3ONO |
Methyl nitrite |
rCH |
1.102 |
2.274 |
1.172 |
C4H6S |
Thiophene, 2,5-dihydro- |
rCC |
1.518 |
2.664 |
1.146 |
C5H8 |
Cyclopentene |
rCH |
1.085 |
2.132 |
1.047 |
CH3CHCHCH3 |
2-Butene, (Z)- |
rCC |
1.506 |
2.549 |
1.043 |
C5H8 |
Bicyclo[2.1.0]pentane |
rCC |
1.565 |
2.480 |
0.915 |
C2H4O3 |
trioxolane124 |
rCN |
1.303 |
2.158 |
0.854 |
C5H8 |
Cyclopentene |
rCC |
1.518 |
2.354 |
0.836 |
C4H6S |
Thiophene, 2,5-dihydro- |
rCC |
1.340 |
2.159 |
0.819 |
C4H6 |
1-Methylcyclopropene |
rCC |
1.476 |
2.250 |
0.774 |
C4H6S |
Thiophene, 2,5-dihydro- |
rCH |
1.095 |
1.831 |
0.736 |
CH3CH2SH |
ethanethiol |
rCH |
1.095 |
1.829 |
0.734 |
CH3CH2SH |
ethanethiol |
rCH |
1.095 |
1.829 |
0.734 |
CH3CH2SH |
ethanethiol |
rCH |
1.095 |
1.828 |
0.733 |
C5H6 |
Bicyclo[2.1.0]pent-2-ene |
rCC |
1.560 |
2.291 |
0.731 |
C4H6 |
1-Methylcyclopropene |
rCH |
1.087 |
1.810 |
0.723 |
ONNO |
NO dimer |
rNN |
2.236 |
1.517 |
-0.719 |
HSSSH |
trisulfane |
rHS |
1.344 |
2.061 |
0.718 |
HSSSH |
trisulfane |
rHS |
1.344 |
2.061 |
0.718 |
HSSSH |
trisulfane |
rHS |
1.344 |
2.061 |
0.717 |
HSSSH |
trisulfane |
rHS |
1.344 |
2.061 |
0.717 |
S4 |
Sulfur tetramer |
rSS |
2.155 |
2.869 |
0.714 |
C5H8 |
Cyclobutane, methylene- |
rCC |
1.557 |
2.234 |
0.677 |
Be2 |
Beryllium diatomic |
rBeBe |
2.460 |
1.783 |
-0.677 |
C4H6 |
1-Methylcyclopropene |
rCH |
1.098 |
1.767 |
0.669 |
C4H6 |
1-Methylcyclopropene |
rCH |
1.098 |
1.754 |
0.656 |
C5H8 |
Bicyclo[2.1.0]pentane |
rCC |
1.536 |
2.170 |
0.634 |
C4H6S |
Thiophene, 2,5-dihydro- |
rCS |
1.816 |
2.427 |
0.611 |
CH3ONO |
Methyl nitrite |
rNO |
1.182 |
1.774 |
0.592 |
HCP+ |
Phosphaethyne cation |
rCP |
1.601 |
1.077 |
-0.525 |
CH3SO2NH2 |
methanesulfonamide |
rCN |
1.207 |
1.650 |
0.443 |
C4H10O |
Methyl propyl ether |
rCC |
1.530 |
1.089 |
-0.441 |
CH3CH2SH |
ethanethiol |
rCH |
1.089 |
1.527 |
0.438 |
CH3CH2SH |
ethanethiol |
rCH |
1.089 |
1.527 |
0.438 |
C5H8 |
Cyclobutane, methylene- |
rCC |
1.524 |
1.087 |
-0.437 |
CH3CH2SH |
ethanethiol |
rCH |
1.092 |
1.527 |
0.435 |
CH3CH2SH |
ethanethiol |
rCH |
1.092 |
1.527 |
0.435 |
CH3CH2SH |
ethanethiol |
rCH |
1.089 |
1.524 |
0.435 |
CH3CH2SH |
ethanethiol |
rCH |
1.092 |
1.524 |
0.432 |
C4H6 |
1-Methylcyclopropene |
rCH |
1.070 |
1.499 |
0.429 |
C4H6 |
1-Methylcyclopropene |
rCC |
1.515 |
1.087 |
-0.428 |
CH3COCH2CH3 |
2-Butanone |
rCC |
1.507 |
1.084 |
-0.423 |
C2H4F2 |
1,2-difluoroethane |
rCH |
1.093 |
1.515 |
0.422 |
C2H4F2 |
1,2-difluoroethane |
rCH |
1.093 |
1.515 |
0.422 |
C2H4F2 |
1,2-difluoroethane |
rCH |
1.093 |
1.506 |
0.413 |
C2H4F2 |
1,2-difluoroethane |
rCH |
1.093 |
1.506 |
0.413 |
CH3CH2NH2 |
Ethylamine |
rCN |
1.475 |
1.088 |
-0.387 |
C5H6 |
1,3-Cyclopentadiene |
rCC |
1.460 |
1.077 |
-0.383 |
S4 |
Sulfur tetramer |
rSS |
2.155 |
2.528 |
0.373 |
CH2CHCH2F |
Allyl Fluoride |
rHC |
1.130 |
1.500 |
0.370 |
CH2CHCH2F |
Allyl Fluoride |
rHC |
1.130 |
1.499 |
0.369 |
C3H3NO |
Isoxazole |
rCH |
1.075 |
1.430 |
0.355 |
GaP |
Gallium monophosphide |
rPGa |
2.450 |
2.134 |
-0.316 |
GaP |
Gallium monophosphide |
rPGa |
2.450 |
2.134 |
-0.316 |
GaP |
Gallium monophosphide |
rPGa |
2.450 |
2.134 |
-0.316 |
GaP |
Gallium monophosphide |
rPGa |
2.450 |
2.134 |
-0.316 |
CH3CH2SH |
ethanethiol |
rCC |
1.528 |
1.829 |
0.301 |
CH3CH2SH |
ethanethiol |
rCC |
1.528 |
1.829 |
0.301 |
CH3CH2SH |
ethanethiol |
rCC |
1.528 |
1.828 |
0.300 |
CH3CH2SH |
ethanethiol |
rCS |
1.820 |
1.524 |
-0.296 |
CH3CH2SH |
ethanethiol |
rCS |
1.820 |
1.527 |
-0.293 |
CH3CH2SH |
ethanethiol |
rCS |
1.820 |
1.527 |
-0.293 |
AlP |
Aluminum monophosphide |
rAlP |
2.400 |
2.108 |
-0.292 |
AlP |
Aluminum monophosphide |
rAlP |
2.400 |
2.108 |
-0.292 |
AlP |
Aluminum monophosphide |
rAlP |
2.400 |
2.108 |
-0.292 |
C4H10O |
Methyl propyl ether |
rCH |
1.099 |
1.390 |
0.291 |
Al2 |
Aluminum diatomic |
rAlAl |
2.701 |
2.991 |
0.290 |
CH3ONO |
Methyl nitrite |
rCO |
1.437 |
1.148 |
-0.289 |
Si2H2 |
disilyne |
rSiSi |
2.215 |
1.941 |
-0.274 |
N2O3 |
Dinitrogen trioxide |
rNN |
1.864 |
1.593 |
-0.271 |
CH3CHCHCH3 |
2-Butene, (E)- |
rCC |
1.347 |
1.083 |
-0.264 |
CH3COCH2CH3 |
2-Butanone |
rCC |
1.512 |
1.774 |
0.262 |
K2 |
Potassium diatomic |
rKK |
3.905 |
4.163 |
0.258 |
Al2Cl6 |
Aluminum, di-μ-chlorotetrachlorodi- |
rAlCl |
2.040 |
2.289 |
0.249 |
CH3ONO |
Methyl nitrite |
rCH |
1.090 |
1.336 |
0.246 |
B2 |
Boron diatomic |
rBB |
1.590 |
1.345 |
-0.245 |
CH3CH2NH2 |
Ethylamine |
rCC |
1.531 |
1.768 |
0.237 |
C2H2+ |
acetylene cation |
rCH |
1.077 |
1.314 |
0.237 |
CH3COCH2CH3 |
2-Butanone |
rCC |
1.531 |
1.753 |
0.222 |
Be2 |
Beryllium diatomic |
rBeBe |
2.460 |
2.241 |
-0.219 |
Si2H2 |
disilyne |
rSiH |
1.668 |
1.452 |
-0.216 |
C5H6 |
1,3-Cyclopentadiene |
rCC |
1.540 |
1.330 |
-0.210 |
S4 |
Sulfur tetramer |
rSS |
1.898 |
2.104 |
0.206 |
C5H6 |
Bicyclo[2.1.0]pent-2-ene |
rCC |
1.530 |
1.330 |
-0.200 |
C4H6 |
1-Methylcyclopropene |
rCC |
1.300 |
1.498 |
0.198 |
CH3SH |
Methanethiol |
rCS |
1.818 |
1.622 |
-0.196 |
Ar2+ |
Argon diatomic cation |
rArAr |
2.320 |
2.515 |
0.195 |
Si2 |
Silicon diatomic |
rSiSi |
2.246 |
2.052 |
-0.194 |
Be2 |
Beryllium diatomic |
rBeBe |
2.460 |
2.654 |
0.194 |
CaS |
Calcium sulfide |
rSCa |
2.318 |
2.509 |
0.191 |
Si2H2 |
disilyne |
rSiH |
1.668 |
1.477 |
-0.191 |
GaP |
Gallium monophosphide |
rPGa |
2.110 |
2.282 |
0.172 |
GaP |
Gallium monophosphide |
rPGa |
2.110 |
2.282 |
0.172 |
GaP |
Gallium monophosphide |
rPGa |
2.110 |
2.282 |
0.172 |
GaP |
Gallium monophosphide |
rPGa |
2.110 |
2.282 |
0.172 |
GaP |
Gallium monophosphide |
rPGa |
2.450 |
2.282 |
-0.168 |
GaP |
Gallium monophosphide |
rPGa |
2.450 |
2.282 |
-0.168 |
GaP |
Gallium monophosphide |
rPGa |
2.450 |
2.282 |
-0.168 |
GaP |
Gallium monophosphide |
rPGa |
2.450 |
2.282 |
-0.168 |
S4 |
Sulfur tetramer |
rSS |
2.155 |
1.987 |
-0.168 |
C5H8 |
Cyclopentene |
rCC |
1.350 |
1.512 |
0.162 |
Al2 |
Aluminum diatomic |
rAlAl |
2.701 |
2.539 |
-0.162 |
Al2 |
Aluminum diatomic |
rAlAl |
2.701 |
2.539 |
-0.162 |
LiK |
Lithium Potassium |
rLiK |
3.270 |
3.428 |
0.158 |
CHF2CHF2 |
1,1,2,2-tetrafluoroethane |
rCF |
1.359 |
1.515 |
0.156 |
Al2Cl6 |
Aluminum, di-μ-chlorotetrachlorodi- |
rAlCl |
2.240 |
2.085 |
-0.155 |
AlP |
Aluminum monophosphide |
rAlP |
2.260 |
2.108 |
-0.152 |
AlP |
Aluminum monophosphide |
rAlP |
2.260 |
2.108 |
-0.152 |
AlP |
Aluminum monophosphide |
rAlP |
2.260 |
2.108 |
-0.152 |
AlP |
Aluminum monophosphide |
rAlP |
2.400 |
2.254 |
-0.146 |
AlP |
Aluminum monophosphide |
rAlP |
2.400 |
2.254 |
-0.146 |
AlP |
Aluminum monophosphide |
rAlP |
2.400 |
2.254 |
-0.146 |
S3 |
Sulfur trimer |
rSS |
1.917 |
2.063 |
0.146 |
CrH |
Chromium hydride |
rHCr |
1.655 |
1.801 |
0.146 |
N2 |
Nitrogen diatomic |
rNN |
1.213 |
1.076 |
-0.137 |
N2 |
Nitrogen diatomic |
rNN |
1.213 |
1.076 |
-0.137 |
N2 |
Nitrogen diatomic |
rNN |
1.213 |
1.076 |
-0.137 |
N2 |
Nitrogen diatomic |
rNN |
1.213 |
1.076 |
-0.137 |
Li2 |
Lithium diatomic |
rLiLi |
2.673 |
2.807 |
0.134 |
FNO |
Nitrosyl fluoride |
rNF |
1.512 |
1.378 |
-0.134 |
FNO |
Nitrosyl fluoride |
rNF |
1.512 |
1.378 |
-0.134 |
Si2H2 |
disilyne |
rSiSi |
2.215 |
2.083 |
-0.133 |
Si2H2 |
disilyne |
rSiSi |
2.215 |
2.084 |
-0.131 |
AlP |
Aluminum monophosphide |
rAlP |
2.400 |
2.269 |
-0.131 |
AlP |
Aluminum monophosphide |
rAlP |
2.400 |
2.269 |
-0.131 |
AlP |
Aluminum monophosphide |
rAlP |
2.400 |
2.269 |
-0.131 |
FNO2 |
Nitryl fluoride |
rNF |
1.467 |
1.337 |
-0.130 |
NaO |
sodium monoxide |
rONa |
2.052 |
1.927 |
-0.125 |
NaO |
sodium monoxide |
rONa |
2.052 |
1.927 |
-0.125 |
SeO3 |
selenium trioxide |
rSeO |
1.688 |
1.564 |
-0.124 |
HNO2 |
Nitrous acid |
rNO |
1.442 |
1.322 |
-0.120 |
Si2H2 |
disilyne |
rSiH |
1.668 |
1.788 |
0.120 |
FNO3 |
Fluorine nitrate |
rNO |
1.507 |
1.388 |
-0.119 |
CaBr |
Calcium monobromide |
rCaBr |
2.594 |
2.709 |
0.116 |
GaP |
Gallium monophosphide |
rPGa |
2.250 |
2.134 |
-0.116 |
GaP |
Gallium monophosphide |
rPGa |
2.250 |
2.134 |
-0.116 |
GaP |
Gallium monophosphide |
rPGa |
2.250 |
2.134 |
-0.116 |
GaP |
Gallium monophosphide |
rPGa |
2.250 |
2.134 |
-0.116 |
AlP |
Aluminum monophosphide |
rAlP |
2.220 |
2.108 |
-0.112 |
AlP |
Aluminum monophosphide |
rAlP |
2.220 |
2.108 |
-0.112 |
AlP |
Aluminum monophosphide |
rAlP |
2.220 |
2.108 |
-0.112 |
B2 |
Boron diatomic |
rBB |
1.590 |
1.480 |
-0.110 |
NaLi |
lithium sodium |
rLiNa |
2.889 |
2.999 |
0.110 |
NaLi |
lithium sodium |
rLiNa |
2.889 |
2.999 |
0.110 |
Na2 |
Sodium diatomic |
rNaNa |
3.079 |
3.189 |
0.110 |
Na2 |
Sodium diatomic |
rNaNa |
3.079 |
3.189 |
0.110 |
Na2 |
Sodium diatomic |
rNaNa |
3.079 |
3.189 |
0.110 |
SiP |
Silicon monophosphide |
rSiP |
2.078 |
1.968 |
-0.110 |
CaH |
Calcium monohydride |
rCaH |
2.003 |
2.112 |
0.109 |
CaH |
Calcium monohydride |
rCaH |
2.003 |
2.112 |
0.109 |
F2+ |
flourine diatomic cation |
rFF |
1.322 |
1.216 |
-0.106 |
F2+ |
flourine diatomic cation |
rFF |
1.322 |
1.216 |
-0.106 |
GaP |
Gallium monophosphide |
rPGa |
2.240 |
2.134 |
-0.106 |
GaP |
Gallium monophosphide |
rPGa |
2.240 |
2.134 |
-0.106 |
GaP |
Gallium monophosphide |
rPGa |
2.240 |
2.134 |
-0.106 |
GaP |
Gallium monophosphide |
rPGa |
2.240 |
2.134 |
-0.106 |
Ne2 |
Neon diatomic |
rNeNe |
3.100 |
2.996 |
-0.104 |
Si2 |
Silicon diatomic |
rSiSi |
2.246 |
2.143 |
-0.103 |
ClF3 |
Chlorine trifluoride |
rFCl |
1.597 |
1.697 |
0.100 |
ClF3 |
Chlorine trifluoride |
rFCl |
1.597 |
1.697 |
0.100 |
CaC |
Calcium monocarbide |
rCCa |
2.302 |
2.400 |
0.099 |
SiC |
silicon monocarbide |
rCSi |
1.722 |
1.625 |
-0.097 |
SiC |
silicon monocarbide |
rCSi |
1.722 |
1.625 |
-0.097 |
Li2 |
Lithium diatomic |
rLiLi |
2.673 |
2.767 |
0.094 |
N2 |
Nitrogen diatomic |
rNN |
1.098 |
1.190 |
0.093 |
N2 |
Nitrogen diatomic |
rNN |
1.098 |
1.190 |
0.093 |
SiP |
Silicon monophosphide |
rSiP |
2.078 |
2.166 |
0.088 |
F3NO |
Nitrogen trifluoride oxide |
rNF |
1.431 |
1.343 |
-0.088 |
BN |
boron nitride |
rBN |
1.325 |
1.238 |
-0.087 |
BN |
boron nitride |
rBN |
1.325 |
1.238 |
-0.087 |
C2H2O4 |
Oxalic Acid |
rCC |
1.544 |
1.457 |
-0.087 |
AlO |
Aluminum monoxide |
rAlO |
1.618 |
1.704 |
0.086 |
AlO |
Aluminum monoxide |
rAlO |
1.618 |
1.704 |
0.086 |
H2O2 |
Hydrogen peroxide |
rOO |
1.475 |
1.389 |
-0.086 |
H2O2 |
Hydrogen peroxide |
rOO |
1.475 |
1.389 |
-0.086 |
AsN |
Arsenic mononitride |
rNAs |
1.618 |
1.533 |
-0.086 |
O3 |
Ozone |
rOO |
1.278 |
1.194 |
-0.084 |
BH3PH3 |
borane phosphine |
rBP |
1.937 |
2.020 |
0.083 |
O3 |
Ozone |
rOO |
1.278 |
1.196 |
-0.082 |
C2H5NO3 |
Nitric acid, ethyl ester |
rNO |
1.407 |
1.325 |
-0.082 |
KH |
Potassium hydride |
rKH |
2.243 |
2.323 |
0.081 |
B2 |
Boron diatomic |
rBB |
1.590 |
1.510 |
-0.080 |
TiH |
Titanium monohydride |
rHTi |
1.785 |
1.864 |
0.080 |
SO2Cl2 |
Sulfuryl chloride |
rSCl |
2.076 |
1.998 |
-0.078 |
LiO |
lithium oxide |
rLiO |
1.688 |
1.611 |
-0.077 |
LiO |
lithium oxide |
rLiO |
1.688 |
1.611 |
-0.077 |
H2S2 |
Disulfane |
rSH |
1.342 |
1.419 |
0.077 |
CH2O2 |
Dioxirane |
rOO |
1.516 |
1.439 |
-0.077 |
H2O2 |
Hydrogen peroxide |
rOO |
1.475 |
1.398 |
-0.077 |
As2 |
Arsenic diatomic |
rAsAs |
2.103 |
2.027 |
-0.075 |
H2COO |
Dioxymethyl radical |
rCO |
1.272 |
1.197 |
-0.075 |
B2 |
Boron diatomic |
rBB |
1.590 |
1.665 |
0.075 |
C3H3NO |
Isoxazole |
rCC |
1.356 |
1.281 |
-0.075 |
HNO3 |
Nitric acid |
rNO |
1.406 |
1.332 |
-0.074 |
HNO3 |
Nitric acid |
rNO |
1.406 |
1.332 |
-0.074 |
BO2 |
Boron dioxide |
rBO |
1.265 |
1.191 |
-0.074 |
BO2 |
Boron dioxide |
rBO |
1.265 |
1.191 |
-0.074 |
HOF |
Hypofluorous acid |
rFO |
1.442 |
1.368 |
-0.074 |
HOF |
Hypofluorous acid |
rFO |
1.442 |
1.368 |
-0.074 |
CH2SHCH2SH |
1,2-Ethanedithiol |
rSH |
1.400 |
1.326 |
-0.074 |
ClNO2 |
Nitryl chloride |
rNCl |
1.840 |
1.767 |
-0.073 |
CH3NO3 |
Methyl nitrate |
rNO |
1.402 |
1.329 |
-0.073 |
GaCl3 |
Gallium trichloride |
rClGa |
2.180 |
2.108 |
-0.072 |
TiCl |
Titanium Monochloride |
rClTi |
2.265 |
2.335 |
0.071 |
F2 |
Fluorine diatomic |
rFF |
1.412 |
1.342 |
-0.070 |
F2 |
Fluorine diatomic |
rFF |
1.412 |
1.342 |
-0.070 |
ClOOCl |
Dichlorine dioxide |
rOO |
1.426 |
1.357 |
-0.069 |
C4H8O2 |
Ethyl acetate |
rCO |
1.448 |
1.516 |
0.068 |
FNO3 |
Fluorine nitrate |
rFO |
1.409 |
1.342 |
-0.067 |
GaCl3 |
Gallium trichloride |
rClGa |
2.180 |
2.114 |
-0.066 |
F2O |
Difluorine monoxide |
rFO |
1.405 |
1.340 |
-0.065 |
B4H10 |
Tetraborane(10) |
rHB |
1.484 |
1.419 |
-0.065 |
GaO |
Gallium monoxide |
rOGa |
1.743 |
1.807 |
0.064 |
CO |
Carbon monoxide |
rCO |
1.128 |
1.192 |
0.063 |
NF2 |
Difluoroamino radical |
rNF |
1.370 |
1.307 |
-0.063 |
NF2 |
Difluoroamino radical |
rNF |
1.370 |
1.307 |
-0.063 |
FSSF |
Difluorodisulfane |
rSS |
1.890 |
1.953 |
0.063 |
BC |
boron monocarbide |
rBC |
1.491 |
1.428 |
-0.063 |
GaO |
Gallium monoxide |
rOGa |
1.743 |
1.806 |
0.063 |
CF3OF |
Trifluoromethylhypofluorite |
rOF |
1.421 |
1.359 |
-0.062 |
CF3OF |
Trifluoromethylhypofluorite |
rOF |
1.421 |
1.359 |
-0.062 |
O2- |
oxygen diatomic anion |
rOO |
1.350 |
1.289 |
-0.061 |
HCF |
Fluoromethylene |
rCH |
1.138 |
1.077 |
-0.061 |
B4H10 |
Tetraborane(10) |
rHB |
1.315 |
1.254 |
-0.061 |
HCF |
Fluoromethylene |
rCH |
1.138 |
1.077 |
-0.061 |
NaK |
Sodium Potassium |
rNaK |
3.589 |
3.650 |
0.061 |
O2- |
oxygen diatomic anion |
rOO |
1.350 |
1.289 |
-0.061 |
PS |
phosphorus sulfide |
rPS |
1.900 |
1.960 |
0.060 |
PS |
phosphorus sulfide |
rPS |
1.900 |
1.960 |
0.060 |
NS |
Mononitrogen monosulfide |
rNS |
1.497 |
1.556 |
0.059 |
NS |
Mononitrogen monosulfide |
rNS |
1.497 |
1.556 |
0.059 |
HNO |
Nitrosyl hydride |
rNH |
1.090 |
1.031 |
-0.059 |
HNO |
Nitrosyl hydride |
rNH |
1.090 |
1.031 |
-0.059 |
BeCl2 |
Beryllium chloride |
rBeCl |
1.750 |
1.809 |
0.059 |
BrO |
Bromine monoxide |
rOBr |
1.718 |
1.775 |
0.058 |
CaBr2 |
Calcium dibromide |
rCaBr |
2.616 |
2.674 |
0.058 |
N2F2 |
(Z)-Difluorodiazene |
rNF |
1.384 |
1.327 |
-0.057 |
Ne2+ |
Neon diatomic cation |
rNeNe |
1.765 |
1.708 |
-0.057 |
NBr |
nitrogen monobromide |
rNBr |
1.765 |
1.822 |
0.057 |
CH3CSNH2 |
Ethanethioamide |
rHN |
1.050 |
0.993 |
-0.057 |
AlN |
Aluminum nitride |
rNAl |
1.786 |
1.730 |
-0.056 |
NH2F |
monofluoroamine |
rNF |
1.433 |
1.377 |
-0.056 |
NH2OH |
hydroxylamine |
rNO |
1.453 |
1.397 |
-0.056 |
NH2OH |
hydroxylamine |
rNO |
1.453 |
1.397 |
-0.056 |
B3N3H6 |
borazine |
rNH |
1.050 |
0.994 |
-0.056 |
KrF2 |
Krypton difluoride |
rFKr |
1.875 |
1.819 |
-0.056 |
ClF5 |
chlorinepentafluoride |
rFCl |
1.650 |
1.594 |
-0.056 |
Li2+ |
lithium diatomic cation |
rLiLi |
3.112 |
3.167 |
0.056 |
NHF2 |
difluoramine |
rNF |
1.400 |
1.344 |
-0.056 |
C3H8O2 |
Propylene glycol |
rOH |
1.000 |
0.945 |
-0.055 |
CH3SH |
Methanethiol |
rCH |
1.104 |
1.049 |
-0.055 |
VO |
Vanadium monoxide |
rVO |
1.589 |
1.644 |
0.055 |
H2O3 |
Hydrogen trioxide |
rOO |
1.428 |
1.373 |
-0.055 |
O2+ |
diatomic oxygen cation |
rOO |
1.116 |
1.061 |
-0.055 |
O2+ |
diatomic oxygen cation |
rOO |
1.116 |
1.061 |
-0.055 |
He2+ |
helium diatomic cation |
rHeHe |
1.081 |
1.135 |
0.054 |
C2 |
Carbon diatomic |
rCC |
1.243 |
1.296 |
0.054 |
C2 |
Carbon diatomic |
rCC |
1.243 |
1.296 |
0.054 |
CP |
Carbon monophosphide |
rCP |
1.562 |
1.616 |
0.053 |
HPO |
Hydrogen phosphorus oxide |
rPO |
1.512 |
1.459 |
-0.053 |
P2+ |
phosphorus diatomic cation |
rPP |
1.986 |
1.933 |
-0.053 |
O2 |
Oxygen diatomic |
rOO |
1.208 |
1.155 |
-0.053 |
BrNO |
Nitrosyl bromide |
rNBr |
2.140 |
2.087 |
-0.053 |
C3H8O2 |
1,3-Propanediol |
rCH |
1.140 |
1.088 |
-0.052 |
B2 |
Boron diatomic |
rBB |
1.590 |
1.641 |
0.051 |
B2 |
Boron diatomic |
rBB |
1.590 |
1.641 |
0.051 |
Ar2 |
Argon diatomic |
rArAr |
3.758 |
3.809 |
0.051 |
CH3CHNOH |
Acetaldoxime |
rCC |
1.550 |
1.499 |
-0.051 |
O2 |
Oxygen diatomic |
rOO |
1.208 |
1.157 |
-0.051 |
O2 |
Oxygen diatomic |
rOO |
1.208 |
1.157 |
-0.051 |
LiCl |
lithium chloride |
rLiCl |
2.021 |
2.071 |
0.051 |
LiCl |
lithium chloride |
rLiCl |
2.021 |
2.071 |
0.051 |
BHCl2 |
Borane, dichloro- |
rBH |
1.130 |
1.181 |
0.051 |
292 molecules.