Species |
Name |
Bond type |
Bond Length (Å) |
Experimental |
Calculated |
Difference |
C4H6 |
1-Methylcyclopropene |
rCH |
1.085 |
4.245 |
3.160 |
C4H6 |
1-Methylcyclopropene |
rCH |
1.087 |
3.465 |
2.378 |
C2H4O3 |
trioxolane124 |
rCN |
1.303 |
2.240 |
0.937 |
C4H6 |
1-Methylcyclopropene |
rCC |
1.476 |
2.270 |
0.794 |
S4 |
Sulfur tetramer |
rSS |
2.155 |
2.945 |
0.790 |
Mg2 |
Magnesium diatomic |
rMgMg |
3.891 |
3.137 |
-0.754 |
Mg2 |
Magnesium diatomic |
rMgMg |
3.891 |
3.137 |
-0.754 |
HSSSH |
trisulfane |
rHS |
1.344 |
2.096 |
0.753 |
HSSSH |
trisulfane |
rHS |
1.344 |
2.096 |
0.753 |
HSSSH |
trisulfane |
rHS |
1.344 |
2.096 |
0.752 |
HSSSH |
trisulfane |
rHS |
1.344 |
2.096 |
0.752 |
NaK |
Sodium Potassium |
rNaK |
3.589 |
2.838 |
-0.751 |
C4H6 |
1-Methylcyclopropene |
rCH |
1.087 |
1.832 |
0.745 |
CH3SO2NH2 |
methanesulfonamide |
rCN |
1.207 |
1.948 |
0.741 |
CH3CH2SH |
ethanethiol |
rCH |
1.095 |
1.823 |
0.728 |
CH3CH2SH |
ethanethiol |
rCH |
1.095 |
1.819 |
0.724 |
Na2 |
Sodium diatomic |
rNaNa |
3.079 |
2.382 |
-0.697 |
C4H6 |
1-Methylcyclopropene |
rCH |
1.098 |
1.788 |
0.690 |
GaP |
Gallium monophosphide |
rPGa |
2.450 |
1.770 |
-0.680 |
GaP |
Gallium monophosphide |
rPGa |
2.450 |
1.770 |
-0.680 |
GaP |
Gallium monophosphide |
rPGa |
2.450 |
1.770 |
-0.680 |
GaP |
Gallium monophosphide |
rPGa |
2.450 |
1.770 |
-0.680 |
C4H6 |
1-Methylcyclopropene |
rCH |
1.098 |
1.778 |
0.680 |
Be2 |
Beryllium diatomic |
rBeBe |
2.460 |
1.942 |
-0.518 |
C2H4F2 |
1,2-difluoroethane |
rCH |
1.093 |
1.583 |
0.490 |
C2H4F2 |
1,2-difluoroethane |
rCH |
1.093 |
1.579 |
0.486 |
AlP |
Aluminum monophosphide |
rAlP |
2.400 |
1.917 |
-0.483 |
AlP |
Aluminum monophosphide |
rAlP |
2.400 |
1.917 |
-0.483 |
AlP |
Aluminum monophosphide |
rAlP |
2.400 |
1.917 |
-0.483 |
GaP |
Gallium monophosphide |
rPGa |
2.250 |
1.770 |
-0.480 |
GaP |
Gallium monophosphide |
rPGa |
2.250 |
1.770 |
-0.480 |
GaP |
Gallium monophosphide |
rPGa |
2.250 |
1.770 |
-0.480 |
GaP |
Gallium monophosphide |
rPGa |
2.250 |
1.770 |
-0.480 |
GaAs |
Gallium arsenide |
rGaAs |
2.530 |
2.052 |
-0.478 |
GaAs |
Gallium arsenide |
rGaAs |
2.530 |
2.052 |
-0.478 |
ONNO |
NO dimer |
rNN |
2.236 |
1.763 |
-0.473 |
GaP |
Gallium monophosphide |
rPGa |
2.240 |
1.770 |
-0.470 |
GaP |
Gallium monophosphide |
rPGa |
2.240 |
1.770 |
-0.470 |
GaP |
Gallium monophosphide |
rPGa |
2.240 |
1.770 |
-0.470 |
GaP |
Gallium monophosphide |
rPGa |
2.240 |
1.770 |
-0.470 |
GaAs |
Gallium arsenide |
rGaAs |
2.530 |
2.062 |
-0.468 |
GaAs |
Gallium arsenide |
rGaAs |
2.530 |
2.062 |
-0.468 |
CH3CH2SH |
ethanethiol |
rCH |
1.089 |
1.548 |
0.459 |
CH3CH2SH |
ethanethiol |
rCH |
1.092 |
1.548 |
0.456 |
CH3CH2SH |
ethanethiol |
rCH |
1.089 |
1.544 |
0.455 |
CH3CH2SH |
ethanethiol |
rCH |
1.092 |
1.544 |
0.452 |
K2 |
Potassium diatomic |
rKK |
3.905 |
3.458 |
-0.447 |
C4H6 |
1-Methylcyclopropene |
rCH |
1.070 |
1.516 |
0.446 |
C4H10O |
Methyl propyl ether |
rCC |
1.530 |
1.098 |
-0.432 |
NaLi |
lithium sodium |
rLiNa |
2.889 |
2.471 |
-0.418 |
NaLi |
lithium sodium |
rLiNa |
2.889 |
2.471 |
-0.418 |
C4H6 |
1-Methylcyclopropene |
rCC |
1.515 |
1.100 |
-0.415 |
HClO4 |
perchloric acid |
rOCl |
1.641 |
2.055 |
0.414 |
CH2CHCH2F |
Allyl Fluoride |
rHC |
1.130 |
1.541 |
0.411 |
CH2CHCH2F |
Allyl Fluoride |
rHC |
1.130 |
1.539 |
0.409 |
GaP |
Gallium monophosphide |
rPGa |
2.450 |
2.047 |
-0.403 |
GaP |
Gallium monophosphide |
rPGa |
2.450 |
2.047 |
-0.403 |
GaP |
Gallium monophosphide |
rPGa |
2.450 |
2.047 |
-0.403 |
GaP |
Gallium monophosphide |
rPGa |
2.450 |
2.047 |
-0.403 |
CuCl |
Copper monochloride |
rCuCl |
2.051 |
1.661 |
-0.390 |
HClO4 |
perchloric acid |
rOCl |
1.404 |
1.793 |
0.389 |
HClO4 |
perchloric acid |
rOCl |
1.414 |
1.791 |
0.377 |
S4 |
Sulfur tetramer |
rSS |
2.155 |
2.530 |
0.375 |
Al2 |
Aluminum diatomic |
rAlAl |
2.701 |
2.335 |
-0.366 |
Al2 |
Aluminum diatomic |
rAlAl |
2.701 |
2.335 |
-0.366 |
Si2H2 |
disilyne |
rSiSi |
2.215 |
1.855 |
-0.360 |
ClOF3 |
Chlorine trifluoride oxide |
rOCl |
1.405 |
1.764 |
0.359 |
C4H10O |
Methyl propyl ether |
rCH |
1.099 |
1.456 |
0.357 |
ZnCN |
Zinc monocyanide |
rCZn |
1.950 |
1.594 |
-0.356 |
C3H3NO |
Isoxazole |
rCH |
1.075 |
1.430 |
0.355 |
AlP |
Aluminum monophosphide |
rAlP |
2.260 |
1.917 |
-0.343 |
AlP |
Aluminum monophosphide |
rAlP |
2.260 |
1.917 |
-0.343 |
AlP |
Aluminum monophosphide |
rAlP |
2.260 |
1.917 |
-0.343 |
GaF |
Gallium monofluoride |
rFGa |
1.774 |
1.432 |
-0.343 |
GaF |
Gallium monofluoride |
rFGa |
1.774 |
1.432 |
-0.343 |
GaO |
Gallium monoxide |
rOGa |
1.743 |
1.401 |
-0.342 |
NH3BF3 |
Amminetrifluoroboron |
rBN |
1.673 |
2.015 |
0.342 |
GaO |
Gallium monoxide |
rOGa |
1.743 |
1.401 |
-0.342 |
GaP |
Gallium monophosphide |
rPGa |
2.110 |
1.770 |
-0.340 |
GaP |
Gallium monophosphide |
rPGa |
2.110 |
1.770 |
-0.340 |
GaP |
Gallium monophosphide |
rPGa |
2.110 |
1.770 |
-0.340 |
GaP |
Gallium monophosphide |
rPGa |
2.110 |
1.770 |
-0.340 |
Be2 |
Beryllium diatomic |
rBeBe |
2.460 |
2.125 |
-0.335 |
AlP |
Aluminum monophosphide |
rAlP |
2.400 |
2.076 |
-0.324 |
AlP |
Aluminum monophosphide |
rAlP |
2.400 |
2.076 |
-0.324 |
AlP |
Aluminum monophosphide |
rAlP |
2.400 |
2.076 |
-0.324 |
AlP |
Aluminum monophosphide |
rAlP |
2.400 |
2.076 |
-0.324 |
AlP |
Aluminum monophosphide |
rAlP |
2.400 |
2.076 |
-0.324 |
AlP |
Aluminum monophosphide |
rAlP |
2.400 |
2.076 |
-0.324 |
GaBr |
Gallium monobromide |
rGaBr |
2.352 |
2.032 |
-0.321 |
CaO |
Calcium monoxide |
rOCa |
1.822 |
2.140 |
0.318 |
CaO |
Calcium monoxide |
rOCa |
1.822 |
2.140 |
0.318 |
OClO |
Chlorine dioxide |
rClO |
1.470 |
1.785 |
0.315 |
OClO |
Chlorine dioxide |
rClO |
1.470 |
1.784 |
0.315 |
ClF3 |
Chlorine trifluoride |
rFCl |
1.597 |
1.911 |
0.314 |
ClF3 |
Chlorine trifluoride |
rFCl |
1.597 |
1.911 |
0.314 |
C2H2+ |
acetylene cation |
rCH |
1.077 |
1.389 |
0.312 |
ClOF3 |
Chlorine trifluoride oxide |
rFCl |
1.603 |
1.914 |
0.311 |
GaH |
Gallium monohydride |
rGaH |
1.663 |
1.354 |
-0.309 |
GaH |
Gallium monohydride |
rGaH |
1.663 |
1.354 |
-0.309 |
GaCl |
Gallium monochloride |
rClGa |
2.202 |
1.896 |
-0.306 |
GaCl |
Gallium monochloride |
rClGa |
2.202 |
1.897 |
-0.305 |
AlP |
Aluminum monophosphide |
rAlP |
2.220 |
1.917 |
-0.303 |
AlP |
Aluminum monophosphide |
rAlP |
2.220 |
1.917 |
-0.303 |
AlP |
Aluminum monophosphide |
rAlP |
2.220 |
1.917 |
-0.303 |
XeF4 |
Xenon tetrafluoride |
rFXe |
1.935 |
2.235 |
0.300 |
CH3CH2SH |
ethanethiol |
rCC |
1.528 |
1.823 |
0.295 |
CH3CH2SH |
ethanethiol |
rCC |
1.528 |
1.819 |
0.291 |
ClF5 |
chlorinepentafluoride |
rFCl |
1.650 |
1.935 |
0.285 |
CH3CH2SH |
ethanethiol |
rCS |
1.820 |
1.544 |
-0.276 |
CH3CH2SH |
ethanethiol |
rCS |
1.820 |
1.548 |
-0.272 |
N2 |
Nitrogen diatomic |
rNN |
1.098 |
1.369 |
0.271 |
N2 |
Nitrogen diatomic |
rNN |
1.098 |
1.369 |
0.271 |
CHF2CHF2 |
1,1,2,2-tetrafluoroethane |
rCF |
1.359 |
1.629 |
0.270 |
XeF2 |
Xenon difluoride |
rFXe |
1.974 |
2.243 |
0.269 |
ClF3 |
Chlorine trifluoride |
rFCl |
1.597 |
1.865 |
0.268 |
ClF3 |
Chlorine trifluoride |
rFCl |
1.597 |
1.865 |
0.268 |
NaS |
Sodium sulfide |
rNaS |
2.489 |
2.231 |
-0.258 |
NO3 |
Nitrogen trioxide |
rNO |
1.238 |
1.495 |
0.257 |
SF5Cl |
sulfur chloropentafluoride |
rSCl |
2.030 |
2.286 |
0.256 |
S4 |
Sulfur tetramer |
rSS |
1.898 |
2.145 |
0.247 |
NaO |
sodium monoxide |
rONa |
2.052 |
1.808 |
-0.244 |
NaO |
sodium monoxide |
rONa |
2.052 |
1.808 |
-0.244 |
Si2H2 |
disilyne |
rSiH |
1.668 |
1.428 |
-0.240 |
CaF |
Calcium monofluoride |
rFCa |
1.967 |
2.196 |
0.229 |
Si2H2 |
disilyne |
rSiSi |
2.215 |
1.987 |
-0.228 |
SO2F2 |
Sulfuryl fluoride |
rFS |
1.530 |
1.750 |
0.220 |
NaH |
sodium hydride |
rNaH |
1.887 |
1.668 |
-0.218 |
ClF3 |
Chlorine trifluoride |
rFCl |
1.697 |
1.911 |
0.214 |
ClF3 |
Chlorine trifluoride |
rFCl |
1.697 |
1.911 |
0.214 |
C4H6 |
1-Methylcyclopropene |
rCC |
1.300 |
1.511 |
0.211 |
Si2H2 |
disilyne |
rSiSi |
2.215 |
2.007 |
-0.208 |
SOF4 |
Sulfur tetrafluoride oxide |
rFS |
1.539 |
1.747 |
0.208 |
Si2H2 |
disilyne |
rSiH |
1.668 |
1.460 |
-0.208 |
Al2Cl6 |
Aluminum, di-μ-chlorotetrachlorodi- |
rAlCl |
2.040 |
2.247 |
0.207 |
CuF |
Copper monofluoride |
rCuF |
1.745 |
1.538 |
-0.207 |
SO3 |
Sulfur trioxide |
rSO |
1.418 |
1.622 |
0.205 |
S3 |
Sulfur trimer |
rSS |
1.917 |
2.121 |
0.204 |
GaP |
Gallium monophosphide |
rPGa |
2.250 |
2.047 |
-0.203 |
GaP |
Gallium monophosphide |
rPGa |
2.250 |
2.047 |
-0.203 |
GaP |
Gallium monophosphide |
rPGa |
2.250 |
2.047 |
-0.203 |
GaP |
Gallium monophosphide |
rPGa |
2.250 |
2.047 |
-0.203 |
ScO |
Scandium monoxide |
rOSc |
1.668 |
1.865 |
0.197 |
SO2F2 |
Sulfuryl fluoride |
rOS |
1.405 |
1.602 |
0.197 |
CaC |
Calcium monocarbide |
rCCa |
2.302 |
2.497 |
0.195 |
GaP |
Gallium monophosphide |
rPGa |
2.240 |
2.047 |
-0.193 |
GaP |
Gallium monophosphide |
rPGa |
2.240 |
2.047 |
-0.193 |
GaP |
Gallium monophosphide |
rPGa |
2.240 |
2.047 |
-0.193 |
GaP |
Gallium monophosphide |
rPGa |
2.240 |
2.047 |
-0.193 |
C2H6O2S |
Dimethyl sulfone |
rSO |
1.431 |
1.622 |
0.191 |
NaBr |
Sodium Bromide |
rNaBr |
2.502 |
2.311 |
-0.191 |
SOF4 |
Sulfur tetrafluoride oxide |
rSO |
1.409 |
1.600 |
0.191 |
KrF2 |
Krypton difluoride |
rFKr |
1.875 |
2.065 |
0.190 |
FSSF |
Difluorodisulfane |
rSS |
1.890 |
2.079 |
0.189 |
SF4 |
Sulfur tetrafluoride |
rSF |
1.545 |
1.734 |
0.189 |
SF4 |
Sulfur tetrafluoride |
rSF |
1.545 |
1.734 |
0.189 |
B2 |
Boron diatomic |
rBB |
1.590 |
1.403 |
-0.187 |
B2 |
Boron diatomic |
rBB |
1.590 |
1.403 |
-0.187 |
AlP |
Aluminum monophosphide |
rAlP |
2.260 |
2.076 |
-0.184 |
AlP |
Aluminum monophosphide |
rAlP |
2.260 |
2.076 |
-0.184 |
AlP |
Aluminum monophosphide |
rAlP |
2.260 |
2.076 |
-0.184 |
AlP |
Aluminum monophosphide |
rAlP |
2.260 |
2.076 |
-0.184 |
AlP |
Aluminum monophosphide |
rAlP |
2.260 |
2.076 |
-0.184 |
AlP |
Aluminum monophosphide |
rAlP |
2.260 |
2.076 |
-0.184 |
GeH |
germylidene |
rGeH |
1.588 |
1.407 |
-0.181 |
GeH |
germylidene |
rGeH |
1.588 |
1.407 |
-0.181 |
C2H6O2S |
Dimethyl sulfone |
rCS |
1.777 |
1.957 |
0.180 |
CFCl |
chlorofluoromethylene |
rCCl |
1.714 |
1.893 |
0.179 |
GeO |
Germanium monoxide |
rOGe |
1.625 |
1.447 |
-0.178 |
GeO |
Germanium monoxide |
rOGe |
1.625 |
1.447 |
-0.178 |
Al2Cl6 |
Aluminum, di-μ-chlorotetrachlorodi- |
rAlCl |
2.240 |
2.062 |
-0.178 |
AlN |
Aluminum nitride |
rNAl |
1.786 |
1.609 |
-0.177 |
Cl2+ |
chlorine diatomic cation |
rClCl |
1.892 |
2.068 |
0.177 |
Cl2+ |
chlorine diatomic cation |
rClCl |
1.892 |
2.068 |
0.177 |
NCl |
nitrogen monochloride |
rNCl |
1.611 |
1.786 |
0.176 |
NCl |
nitrogen monochloride |
rNCl |
1.611 |
1.786 |
0.176 |
SO2 |
Sulfur dioxide |
rSO |
1.432 |
1.606 |
0.174 |
IO |
Iodine monoxide |
rIO |
1.868 |
2.042 |
0.174 |
ClOF3 |
Chlorine trifluoride oxide |
rFCl |
1.713 |
1.885 |
0.172 |
CBrClF2 |
Methane, bromochlorodifluoro- |
rCCl |
1.736 |
1.908 |
0.172 |
F2SO |
Thionyl Fluoride |
rOS |
1.413 |
1.582 |
0.169 |
He2+ |
helium diatomic cation |
rHeHe |
1.081 |
1.249 |
0.168 |
He2+ |
helium diatomic cation |
rHeHe |
1.081 |
1.249 |
0.168 |
SOCl2 |
thionyl chloride |
rSCl |
2.076 |
2.242 |
0.166 |
NaI |
Sodium Iodide |
rNaI |
2.711 |
2.546 |
-0.165 |
CF3Cl |
Methane, chlorotrifluoro- |
rCCl |
1.752 |
1.916 |
0.164 |
NaF |
sodium fluoride |
rNaF |
1.926 |
1.763 |
-0.163 |
SF6 |
Sulfur Hexafluoride |
rSF |
1.561 |
1.722 |
0.161 |
Ar2+ |
Argon diatomic cation |
rArAr |
2.320 |
2.481 |
0.161 |
SSO |
Disulfur monoxide |
rSO |
1.456 |
1.614 |
0.158 |
N2 |
Nitrogen diatomic |
rNN |
1.213 |
1.369 |
0.156 |
N2 |
Nitrogen diatomic |
rNN |
1.213 |
1.369 |
0.156 |
LiK |
Lithium Potassium |
rLiK |
3.270 |
3.114 |
-0.156 |
SeF4 |
Selenium tetrafluoride |
rFSe |
1.682 |
1.838 |
0.156 |
F2SO |
Thionyl Fluoride |
rFS |
1.585 |
1.741 |
0.156 |
ClO |
Monochlorine monoxide |
rClO |
1.596 |
1.751 |
0.155 |
ClO |
Monochlorine monoxide |
rClO |
1.596 |
1.751 |
0.155 |
ZnS |
Zinc sulfide |
rSZn |
2.046 |
1.892 |
-0.155 |
GeH2 |
germylene |
rGeH |
1.588 |
1.434 |
-0.154 |
HeH+ |
Helium hydride cation |
rHHe |
0.790 |
0.944 |
0.154 |
HeH+ |
Helium hydride cation |
rHHe |
0.790 |
0.944 |
0.154 |
GaCl3 |
Gallium trichloride |
rClGa |
2.180 |
2.026 |
-0.154 |
GaCl3 |
Gallium trichloride |
rClGa |
2.180 |
2.026 |
-0.154 |
GeH2 |
germylene |
rGeH |
1.588 |
1.434 |
-0.154 |
NCl |
nitrogen monochloride |
rNCl |
1.611 |
1.765 |
0.154 |
CHF2Cl |
difluorochloromethane |
rCCl |
1.747 |
1.900 |
0.153 |
LiCl- |
lithium chloride anion |
rLiCl |
2.180 |
2.028 |
-0.152 |
ClF3 |
Chlorine trifluoride |
rFCl |
1.697 |
1.849 |
0.152 |
ClF3 |
Chlorine trifluoride |
rFCl |
1.697 |
1.849 |
0.152 |
GeS |
Germanium monosulfide |
rSGe |
2.012 |
1.860 |
-0.152 |
Si2 |
Silicon diatomic |
rSiSi |
2.246 |
2.097 |
-0.149 |
NaCl |
Sodium Chloride |
rNaCl |
2.361 |
2.212 |
-0.149 |
SOF4 |
Sulfur tetrafluoride oxide |
rFS |
1.596 |
1.742 |
0.146 |
ClOOCl |
Dichlorine dioxide |
rOCl |
1.704 |
1.849 |
0.145 |
AlP |
Aluminum monophosphide |
rAlP |
2.220 |
2.076 |
-0.144 |
AlP |
Aluminum monophosphide |
rAlP |
2.220 |
2.076 |
-0.144 |
AlP |
Aluminum monophosphide |
rAlP |
2.220 |
2.076 |
-0.144 |
AlP |
Aluminum monophosphide |
rAlP |
2.220 |
2.076 |
-0.144 |
AlP |
Aluminum monophosphide |
rAlP |
2.220 |
2.076 |
-0.144 |
AlP |
Aluminum monophosphide |
rAlP |
2.220 |
2.076 |
-0.144 |
SF5Cl |
sulfur chloropentafluoride |
rFS |
1.576 |
1.719 |
0.143 |
CaS |
Calcium sulfide |
rSCa |
2.318 |
2.461 |
0.143 |
MgS |
magnesium sulfide |
rMgS |
2.143 |
1.999 |
-0.143 |
CaCl |
calcium monochloride |
rClCa |
2.437 |
2.579 |
0.142 |
CF2Cl2 |
difluorodichloromethane |
rCCl |
1.744 |
1.884 |
0.140 |
KH |
Potassium hydride |
rKH |
2.243 |
2.103 |
-0.139 |
GeF |
Germanium monofluoride |
rFGe |
1.745 |
1.607 |
-0.139 |
GeSe |
Germanium monoselenide |
rGeSe |
2.135 |
1.997 |
-0.137 |
SiC |
silicon monocarbide |
rCSi |
1.722 |
1.585 |
-0.137 |
SiC |
silicon monocarbide |
rCSi |
1.722 |
1.585 |
-0.137 |
Al2 |
Aluminum diatomic |
rAlAl |
2.701 |
2.564 |
-0.137 |
GeF |
Germanium monofluoride |
rFGe |
1.745 |
1.609 |
-0.137 |
OH- |
hydroxide anion |
rOH |
0.964 |
1.100 |
0.136 |
OH- |
hydroxide anion |
rOH |
0.964 |
1.100 |
0.136 |
SFCl |
Sulfur chloride fluoride |
rSCl |
1.994 |
2.130 |
0.136 |
CH3SOCH3 |
Dimethyl sulfoxide |
rSO |
1.485 |
1.620 |
0.135 |
CHFClBr |
fluorochlorobromomethane |
rCCl |
1.745 |
1.878 |
0.133 |
CHFClBr |
fluorochlorobromomethane |
rCCl |
1.745 |
1.878 |
0.133 |
CO |
Carbon monoxide |
rCO |
1.128 |
1.260 |
0.132 |
PF5 |
Phosphorus pentafluoride |
rPF |
1.534 |
1.666 |
0.132 |
LiOH |
lithium hydroxide |
rLiO |
1.582 |
1.452 |
-0.130 |
LiS |
Lithium monosulfide |
rLiS |
2.150 |
2.021 |
-0.129 |
FSN |
Thiazyl fluoride |
rNS |
1.448 |
1.577 |
0.129 |
OPCl |
Phosphorus oxychloride |
rPCl |
2.059 |
2.186 |
0.127 |
CH3OCl |
methyl hypochlorite |
rOCl |
1.674 |
1.799 |
0.125 |
FNO |
Nitrosyl fluoride |
rNO |
1.136 |
1.261 |
0.125 |
Ne2+ |
Neon diatomic cation |
rNeNe |
1.765 |
1.641 |
-0.124 |
C2F6 |
hexafluoroethane |
rCC |
1.560 |
1.684 |
0.124 |
C2H2+ |
acetylene cation |
rCC |
1.253 |
1.376 |
0.124 |
BrO |
Bromine monoxide |
rOBr |
1.718 |
1.841 |
0.124 |
LiF |
lithium fluoride |
rLiF |
1.564 |
1.440 |
-0.123 |
CHF2CHF2 |
1,1,2,2-tetrafluoroethane |
rCC |
1.508 |
1.629 |
0.121 |
CHF2CHF2 |
1,1,2,2-tetrafluoroethane |
rCC |
1.508 |
1.629 |
0.121 |
NO+ |
nitric oxide cation |
rNO |
1.066 |
1.187 |
0.121 |
NO+ |
nitric oxide cation |
rNO |
1.066 |
1.187 |
0.121 |
BrO |
Bromine monoxide |
rOBr |
1.718 |
1.839 |
0.121 |
HCCl |
Chloromethylene |
rCCl |
1.696 |
1.817 |
0.121 |
GaF3 |
Gallium trifluoride |
rFGa |
1.725 |
1.604 |
-0.121 |
GeH3CH3 |
methyl germane |
rGeH |
1.529 |
1.409 |
-0.120 |
GaF3 |
Gallium trifluoride |
rFGa |
1.725 |
1.605 |
-0.120 |
Si2H2 |
disilyne |
rSiH |
1.668 |
1.787 |
0.119 |
BrNO |
Nitrosyl bromide |
rNBr |
2.140 |
2.021 |
-0.119 |
LiBr |
Lithium Bromide |
rLiBr |
2.170 |
2.052 |
-0.119 |
CH3SOCH3 |
Dimethyl sulfoxide |
rCS |
1.799 |
1.917 |
0.118 |
LiBr |
Lithium Bromide |
rLiBr |
2.170 |
2.052 |
-0.118 |
CHF2CHF2 |
1,1,2,2-tetrafluoroethane |
rCC |
1.511 |
1.629 |
0.118 |
CHF2CHF2 |
1,1,2,2-tetrafluoroethane |
rCC |
1.511 |
1.629 |
0.118 |
O2+ |
diatomic oxygen cation |
rOO |
1.116 |
1.234 |
0.118 |
O2+ |
diatomic oxygen cation |
rOO |
1.116 |
1.234 |
0.118 |
SeO2 |
Selenium dioxide |
rSeO |
1.607 |
1.724 |
0.117 |
SeO2 |
Selenium dioxide |
rSeO |
1.607 |
1.724 |
0.117 |
BrO+ |
Bromine monoxide cation |
rOBr |
1.635 |
1.752 |
0.117 |
S2N2 |
Disulfur dinitride |
rNS |
1.642 |
1.759 |
0.117 |
SOCl2 |
thionyl chloride |
rSO |
1.443 |
1.560 |
0.117 |
MgH+ |
magnesium monohydride cation |
rMgH |
1.652 |
1.536 |
-0.116 |
SO+ |
sulfur monoxide cation |
rOS |
1.424 |
1.538 |
0.114 |
SO+ |
sulfur monoxide cation |
rOS |
1.424 |
1.538 |
0.114 |
Cl2 |
Chlorine diatomic |
rClCl |
1.988 |
2.101 |
0.113 |
FNO2 |
Nitryl fluoride |
rNO |
1.180 |
1.293 |
0.113 |
CaBr |
Calcium monobromide |
rCaBr |
2.594 |
2.707 |
0.113 |
C3F8 |
perfluoropropane |
rCC |
1.546 |
1.658 |
0.112 |
C2H2ClF |
1-chloro-1-fluoroethylene |
rCCl |
1.704 |
1.816 |
0.112 |
B2 |
Boron diatomic |
rBB |
1.590 |
1.479 |
-0.111 |
B2 |
Boron diatomic |
rBB |
1.590 |
1.479 |
-0.111 |
SO |
Sulfur monoxide |
rSO |
1.481 |
1.592 |
0.111 |
SO |
Sulfur monoxide |
rSO |
1.481 |
1.592 |
0.111 |
SO |
Sulfur monoxide |
rSO |
1.481 |
1.592 |
0.111 |
SO |
Sulfur monoxide |
rSO |
1.481 |
1.592 |
0.111 |
NCl3 |
nitrogen trichloride |
rNCl |
1.754 |
1.863 |
0.110 |
NCl3 |
nitrogen trichloride |
rNCl |
1.754 |
1.863 |
0.110 |
CF3OF |
Trifluoromethylhypofluorite |
rCO |
1.395 |
1.505 |
0.110 |
CF3OF |
Trifluoromethylhypofluorite |
rCO |
1.395 |
1.505 |
0.110 |
HCl+ |
hydrogen chloride cation |
rHCl |
1.315 |
1.424 |
0.109 |
HCl+ |
hydrogen chloride cation |
rHCl |
1.315 |
1.424 |
0.109 |
LiI |
Lithium Iodide |
rLiI |
2.392 |
2.283 |
-0.109 |
NBr |
nitrogen monobromide |
rNBr |
1.765 |
1.874 |
0.109 |
GeF+ |
Germanium monofluoride cation |
rFGe |
1.665 |
1.557 |
-0.109 |
As2 |
Arsenic diatomic |
rAsAs |
2.103 |
1.994 |
-0.108 |
SO |
Sulfur monoxide |
rSO |
1.481 |
1.587 |
0.106 |
SO |
Sulfur monoxide |
rSO |
1.481 |
1.587 |
0.106 |
SO |
Sulfur monoxide |
rSO |
1.481 |
1.587 |
0.106 |
SO |
Sulfur monoxide |
rSO |
1.481 |
1.587 |
0.106 |
SCl |
sulfur monochloride |
rSCl |
1.975 |
2.081 |
0.106 |
SCl |
sulfur monochloride |
rSCl |
1.975 |
2.081 |
0.105 |
C2H5NO3 |
Nitric acid, ethyl ester |
rNO |
1.407 |
1.511 |
0.104 |
HN3 |
hydrogen azide |
rNH |
0.975 |
1.079 |
0.104 |
HN3 |
hydrogen azide |
rNH |
0.975 |
1.079 |
0.104 |
CH2FCl |
fluorochloromethane |
rCCl |
1.762 |
1.866 |
0.104 |
SSO |
Disulfur monoxide |
rSS |
1.884 |
1.986 |
0.102 |
GeH3F |
monofluorogermane |
rGeH |
1.515 |
1.414 |
-0.101 |
ClF |
Chlorine monofluoride |
rFCl |
1.628 |
1.729 |
0.101 |
BC |
boron monocarbide |
rBC |
1.491 |
1.390 |
-0.101 |
NH+ |
imidogen cation |
rNH |
1.070 |
1.171 |
0.101 |
Ne2 |
Neon diatomic |
rNeNe |
3.100 |
3.000 |
-0.100 |
BrNO |
Nitrosyl bromide |
rNO |
1.146 |
1.245 |
0.099 |
KOH |
Potassium hydroxide |
rOH |
0.912 |
1.010 |
0.098 |
SF2 |
sulfur difluoride |
rSF |
1.587 |
1.685 |
0.097 |
AsF5 |
Arsenic pentafluoride |
rAsF |
1.656 |
1.753 |
0.097 |
ClCOClCO |
Oxalyl chloride |
rCCl |
1.744 |
1.841 |
0.097 |
NO2 |
Nitrogen dioxide |
rNO |
1.193 |
1.290 |
0.097 |
NO2 |
Nitrogen dioxide |
rNO |
1.193 |
1.290 |
0.097 |
ScH |
Scandium monohydride |
rScH |
1.775 |
1.872 |
0.097 |
ClNO |
Nitrosyl chloride |
rNO |
1.139 |
1.235 |
0.096 |
C4H8O2 |
Ethyl acetate |
rCO |
1.448 |
1.544 |
0.096 |
N2O3 |
Dinitrogen trioxide |
rNO |
1.142 |
1.237 |
0.095 |
PF5 |
Phosphorus pentafluoride |
rFP |
1.577 |
1.672 |
0.095 |
SCl2 |
Sulfur dichloride |
rSCl |
2.013 |
2.108 |
0.095 |
SCl2 |
Sulfur dichloride |
rSCl |
2.013 |
2.108 |
0.095 |
CH3NO |
nitrosomethane |
rCN |
1.482 |
1.577 |
0.095 |
CH2N2 |
diazirine |
rNN |
1.228 |
1.322 |
0.094 |
HNO3 |
Nitric acid |
rNO |
1.199 |
1.292 |
0.093 |
HOCO+ |
Hydrocarboxyl cation |
rCO |
1.209 |
1.301 |
0.093 |
N2O4 |
Dinitrogen tetroxide |
rNO |
1.190 |
1.282 |
0.092 |
FSN |
Thiazyl fluoride |
rFS |
1.643 |
1.735 |
0.092 |
SO |
Sulfur monoxide |
rOS |
1.500 |
1.592 |
0.092 |
SO |
Sulfur monoxide |
rOS |
1.500 |
1.592 |
0.092 |
SO |
Sulfur monoxide |
rOS |
1.500 |
1.592 |
0.092 |
SO |
Sulfur monoxide |
rOS |
1.500 |
1.592 |
0.092 |
HOCl |
hypochlorous acid |
rClO |
1.697 |
1.788 |
0.091 |
HNO3 |
Nitric acid |
rNO |
1.211 |
1.301 |
0.090 |
C2H4F2 |
1,2-difluoroethane |
rCC |
1.493 |
1.583 |
0.090 |
C2H4F2 |
1,2-difluoroethane |
rCC |
1.493 |
1.583 |
0.090 |
NHCl2 |
dichloroamine |
rNCl |
1.760 |
1.850 |
0.090 |
MgOH |
magnesium hydroxide |
rOH |
0.940 |
1.029 |
0.089 |
C5H6 |
Propellane |
rCC |
1.596 |
1.685 |
0.089 |
C2H3NO |
Nitrosoethylene |
rCN |
1.439 |
1.528 |
0.089 |
ONNO |
NO dimer |
rNO |
1.161 |
1.249 |
0.088 |
TeO |
Tellurium monoxide |
rOTe |
1.825 |
1.913 |
0.088 |
SF4 |
Sulfur tetrafluoride |
rSF |
1.646 |
1.734 |
0.088 |
SF4 |
Sulfur tetrafluoride |
rSF |
1.646 |
1.734 |
0.088 |
PO- |
phosphorus monoxide anion |
rOP |
1.540 |
1.628 |
0.088 |
N2O3 |
Dinitrogen trioxide |
rNO |
1.202 |
1.289 |
0.087 |
HNO3 |
Nitric acid |
rNO |
1.406 |
1.493 |
0.087 |
SO |
Sulfur monoxide |
rOS |
1.500 |
1.587 |
0.087 |
SO |
Sulfur monoxide |
rOS |
1.500 |
1.587 |
0.087 |
C6H5NO2 |
Nitrobenzene |
rNO |
1.223 |
1.310 |
0.087 |
SO |
Sulfur monoxide |
rOS |
1.500 |
1.587 |
0.087 |
SO |
Sulfur monoxide |
rOS |
1.500 |
1.587 |
0.087 |
S4 |
Sulfur tetramer |
rSS |
2.155 |
2.242 |
0.087 |
C2H4F2 |
1,2-difluoroethane |
rCC |
1.493 |
1.579 |
0.086 |
C2H4F2 |
1,2-difluoroethane |
rCC |
1.493 |
1.579 |
0.086 |
C2 |
Carbon diatomic |
rCC |
1.243 |
1.328 |
0.086 |
C2 |
Carbon diatomic |
rCC |
1.243 |
1.328 |
0.086 |
CaOH |
Calcium monohydroxide |
rOCa |
1.976 |
2.062 |
0.086 |
CH3OCl |
methyl hypochlorite |
rCO |
1.389 |
1.475 |
0.086 |
NH2SH |
Thiohydroxylamine |
rNS |
1.705 |
1.790 |
0.085 |
NH2SH |
Thiohydroxylamine |
rNS |
1.705 |
1.790 |
0.085 |
CBrCl3 |
Methane, bromotrichloro- |
rCCl |
1.765 |
1.850 |
0.085 |
MgF2 |
Magnesium fluoride |
rFMg |
1.770 |
1.685 |
-0.085 |
LiNH2 |
lithium amide |
rLiN |
1.736 |
1.651 |
-0.085 |
N2H4 |
Hydrazine |
rNN |
1.446 |
1.531 |
0.085 |
ZnCN |
Zinc monocyanide |
rCN |
1.142 |
1.226 |
0.084 |
CHONH2 |
formamide |
rCN |
1.350 |
1.434 |
0.084 |
CO+ |
carbon monoxide cation |
rCO |
1.115 |
1.199 |
0.084 |
CO+ |
carbon monoxide cation |
rCO |
1.115 |
1.199 |
0.084 |
CO+ |
carbon monoxide cation |
rCO |
1.115 |
1.199 |
0.084 |
LiCl |
lithium chloride |
rLiCl |
2.021 |
1.937 |
-0.084 |
TeO2 |
Tellurium Dioxide |
rOTe |
1.830 |
1.914 |
0.084 |
SiF3 |
Silicon trifluoride radical |
rFSi |
1.565 |
1.649 |
0.084 |
Si2H2 |
disilyne |
rSiSi |
2.215 |
2.131 |
-0.084 |
HOI |
Hypoiodous acid |
rOI |
1.994 |
2.078 |
0.084 |
BClF2 |
Chlorodifluoroborane |
rBCl |
1.728 |
1.812 |
0.084 |
OH+ |
hydoxyl cation |
rOH |
1.029 |
1.113 |
0.084 |
OH+ |
hydoxyl cation |
rOH |
1.029 |
1.113 |
0.084 |
N2O |
Nitrous oxide |
rNN |
1.128 |
1.212 |
0.084 |
PF+ |
phosphorus monofluoride cation |
rFP |
1.500 |
1.584 |
0.083 |
N2O |
Nitrous oxide |
rNN |
1.128 |
1.212 |
0.083 |
H2O2 |
Hydrogen peroxide |
rOH |
0.950 |
1.033 |
0.083 |
H2O2 |
Hydrogen peroxide |
rOH |
0.950 |
1.033 |
0.083 |
OH+ |
hydoxyl cation |
rOH |
1.029 |
1.112 |
0.083 |
NH2CONH2 |
Urea |
rCN |
1.378 |
1.461 |
0.083 |
CH3NO2 |
Methane, nitro- |
rNO |
1.224 |
1.306 |
0.082 |
MgH |
magnesium monohydride |
rMgH |
1.730 |
1.647 |
-0.082 |
MgH |
magnesium monohydride |
rMgH |
1.730 |
1.647 |
-0.082 |
CH2Cl |
chloromethyl radical |
rCCl |
1.691 |
1.773 |
0.082 |
CH2Cl |
chloromethyl radical |
rCCl |
1.691 |
1.773 |
0.082 |
CH2Cl |
chloromethyl radical |
rCCl |
1.691 |
1.773 |
0.082 |
CH2Cl |
chloromethyl radical |
rCCl |
1.691 |
1.773 |
0.082 |
N2O |
Nitrous oxide |
rNO |
1.184 |
1.266 |
0.082 |
C2H5NO3 |
Nitric acid, ethyl ester |
rNO |
1.215 |
1.297 |
0.082 |
CH2BrCl |
Methane, bromochloro- |
rCCl |
1.755 |
1.837 |
0.082 |
N2O |
Nitrous oxide |
rNO |
1.184 |
1.266 |
0.082 |
C2H4F2 |
1,2-difluoroethane |
rCC |
1.501 |
1.583 |
0.082 |
C2H4F2 |
1,2-difluoroethane |
rCC |
1.501 |
1.583 |
0.082 |
HOSH |
hydrogen thioperoxide |
rSO |
1.662 |
1.743 |
0.081 |
ArH+ |
Argon hydride cation |
rArH |
1.292 |
1.373 |
0.081 |
ArH+ |
Argon hydride cation |
rArH |
1.292 |
1.373 |
0.081 |
C3H2O3 |
vinylene carbonate |
rCO |
1.364 |
1.445 |
0.081 |
FNO |
Nitrosyl fluoride |
rNF |
1.512 |
1.431 |
-0.081 |
NH2CONH2 |
Urea |
rCN |
1.378 |
1.458 |
0.080 |
H2O2 |
Hydrogen peroxide |
rOH |
0.950 |
1.030 |
0.080 |
CF3COOH |
trifluoroacetic acid |
rCC |
1.546 |
1.626 |
0.080 |
HOCH2COOH |
Hydroxyacetic acid |
rOH |
0.956 |
1.036 |
0.080 |
N3 |
azide radical |
rNN |
1.181 |
1.261 |
0.080 |
N3 |
azide radical |
rNN |
1.181 |
1.261 |
0.080 |
AlS |
Aluminum sulfide |
rAlS |
2.029 |
1.949 |
-0.080 |
C2H5NO3 |
Nitric acid, ethyl ester |
rNO |
1.215 |
1.294 |
0.079 |
ScF |
Scandium monofluoride |
rFSc |
1.788 |
1.867 |
0.079 |
BeS |
beryllium sulfide |
rBeS |
1.742 |
1.663 |
-0.079 |
Si2 |
Silicon diatomic |
rSiSi |
2.246 |
2.167 |
-0.079 |
HOF |
Hypofluorous acid |
rOH |
0.960 |
1.039 |
0.079 |
CF3Br |
Bromotrifluoromethane |
rCBr |
1.923 |
2.002 |
0.079 |
CF3Br |
Bromotrifluoromethane |
rCBr |
1.923 |
2.002 |
0.079 |
CH3NO2 |
Methane, nitro- |
rCN |
1.489 |
1.567 |
0.078 |
NS+ |
nitrogen sulfide cation |
rNS |
1.440 |
1.518 |
0.078 |
C2H4F2 |
1,2-difluoroethane |
rCC |
1.501 |
1.579 |
0.078 |
C2H4F2 |
1,2-difluoroethane |
rCC |
1.501 |
1.579 |
0.078 |
PF2 |
Phosphorus difluoride |
rPF |
1.579 |
1.657 |
0.078 |
N2 |
Nitrogen diatomic |
rNN |
1.098 |
1.175 |
0.077 |
N2 |
Nitrogen diatomic |
rNN |
1.098 |
1.175 |
0.077 |
HN3 |
hydrogen azide |
rNN |
1.133 |
1.210 |
0.077 |
N2 |
Nitrogen diatomic |
rNN |
1.098 |
1.175 |
0.077 |
N2 |
Nitrogen diatomic |
rNN |
1.098 |
1.175 |
0.077 |
HN3 |
hydrogen azide |
rNN |
1.133 |
1.210 |
0.077 |
N2 |
Nitrogen diatomic |
rNN |
1.098 |
1.175 |
0.077 |
N2 |
Nitrogen diatomic |
rNN |
1.098 |
1.175 |
0.077 |
Si2H6 |
disilane |
rSiSi |
2.320 |
2.243 |
-0.077 |
NO |
Nitric oxide |
rNO |
1.154 |
1.230 |
0.077 |
NO |
Nitric oxide |
rNO |
1.154 |
1.230 |
0.076 |
SeO |
Selenium monoxide |
rSeO |
1.639 |
1.716 |
0.076 |
CH2NN |
diazomethane |
rNN |
1.139 |
1.215 |
0.076 |
NHF2 |
difluoramine |
rHN |
1.026 |
1.102 |
0.076 |
HCCCl |
Chloroacetylene |
rCCl |
1.637 |
1.713 |
0.076 |
CCl |
carbon monochloride |
rCCl |
1.649 |
1.725 |
0.076 |
CCl |
carbon monochloride |
rCCl |
1.649 |
1.725 |
0.076 |
CF2CCl2 |
difluorodichloroethylene |
rCCl |
1.706 |
1.782 |
0.076 |
GeF2 |
Germanium difluoride |
rGeCl |
1.732 |
1.657 |
-0.075 |
C4H6O2 |
2,3-Butanedione |
rCC |
1.507 |
1.582 |
0.075 |
PCl |
phosphorus chloride |
rPCl |
2.018 |
2.092 |
0.075 |
NH |
Imidogen |
rNH |
1.034 |
1.108 |
0.074 |
CH2Cl |
chloromethyl radical |
rCCl |
1.691 |
1.765 |
0.074 |
CH2Cl |
chloromethyl radical |
rCCl |
1.691 |
1.765 |
0.074 |
NH |
Imidogen |
rNH |
1.034 |
1.108 |
0.074 |
BrF3 |
Bromine trifluoride |
rFBr |
1.721 |
1.795 |
0.074 |
OH |
Hydroxyl radical |
rOH |
0.970 |
1.043 |
0.074 |
OH |
Hydroxyl radical |
rOH |
0.970 |
1.043 |
0.074 |
C3H8O2 |
Methane, dimethoxy- |
rCO |
1.382 |
1.456 |
0.074 |
AsN |
Arsenic mononitride |
rNAs |
1.618 |
1.545 |
-0.074 |
NHCl2 |
dichloroamine |
rHN |
1.014 |
1.087 |
0.073 |
CaH |
Calcium monohydride |
rCaH |
2.003 |
2.076 |
0.073 |
CaH |
Calcium monohydride |
rCaH |
2.003 |
2.076 |
0.073 |
C4H8O2 |
Ethyl acetate |
rCO |
1.345 |
1.418 |
0.073 |
HCNO |
fulminic acid |
rNO |
1.199 |
1.272 |
0.073 |
HCNO |
fulminic acid |
rNO |
1.199 |
1.272 |
0.073 |
CH3CHF2 |
Ethane, 1,1-difluoro- |
rCC |
1.498 |
1.571 |
0.073 |
CH2ClCCCl |
1,3-dichloropropyne |
rCCl |
1.638 |
1.710 |
0.073 |
CaBr2 |
Calcium dibromide |
rCaBr |
2.616 |
2.689 |
0.073 |
H2Cl+ |
dihydrogen monochloride cation |
rHCl |
1.321 |
1.393 |
0.073 |
H2Cl+ |
dihydrogen monochloride cation |
rHCl |
1.321 |
1.393 |
0.073 |
H2O3 |
Hydrogen trioxide |
rOH |
0.963 |
1.035 |
0.072 |
GeH3CH3 |
methyl germane |
rCGe |
1.945 |
1.873 |
-0.072 |
TiH |
Titanium monohydride |
rHTi |
1.785 |
1.712 |
-0.072 |
S2+ |
sulfur diatomic cation |
rSS |
1.825 |
1.897 |
0.072 |
NH |
Imidogen |
rNH |
1.036 |
1.108 |
0.072 |
NH2SH |
Thiohydroxylamine |
rNS |
1.705 |
1.777 |
0.072 |
NH2SH |
Thiohydroxylamine |
rNS |
1.705 |
1.777 |
0.072 |
HO2 |
Hydroperoxy radical |
rOH |
0.971 |
1.043 |
0.072 |
NH |
Imidogen |
rNH |
1.036 |
1.108 |
0.072 |
SeO |
Selenium monoxide |
rSeO |
1.639 |
1.711 |
0.072 |
SeO |
Selenium monoxide |
rSeO |
1.639 |
1.711 |
0.072 |
NH2SH |
Thiohydroxylamine |
rNS |
1.719 |
1.790 |
0.071 |
NH2SH |
Thiohydroxylamine |
rNS |
1.719 |
1.790 |
0.071 |
S3 |
Sulfur trimer |
rSS |
1.917 |
1.988 |
0.071 |
C2F6 |
hexafluoroethane |
rCF |
1.320 |
1.391 |
0.071 |
HF |
Hydrogen fluoride |
rHF |
0.917 |
0.987 |
0.071 |
HCOOH |
Formic acid |
rCO |
1.343 |
1.413 |
0.070 |
CaOH |
Calcium monohydroxide |
rOH |
0.930 |
1.000 |
0.070 |
DF |
Hydrofluoric acid-d |
rDF |
0.917 |
0.987 |
0.070 |
N2O3 |
Dinitrogen trioxide |
rNO |
1.217 |
1.287 |
0.070 |
O2 |
Oxygen diatomic |
rOO |
1.208 |
1.277 |
0.070 |
C3O2 |
Carbon suboxide |
rCO |
1.146 |
1.215 |
0.069 |
HOBr |
Hypobromous acid |
rOH |
0.961 |
1.030 |
0.069 |
HOBr |
Hypobromous acid |
rOH |
0.961 |
1.030 |
0.069 |
CCl4 |
Carbon tetrachloride |
rCCl |
1.767 |
1.836 |
0.069 |
CH2NOH |
formaldoxime |
rOH |
0.956 |
1.025 |
0.069 |
HCNO |
fulminic acid |
rNO |
1.199 |
1.268 |
0.069 |
C2H4O4 |
Formic acid dimer |
rCO |
1.217 |
1.286 |
0.069 |
HCNO |
fulminic acid |
rNO |
1.199 |
1.268 |
0.069 |
CH2O2 |
Dioxirane |
rCO |
1.388 |
1.456 |
0.069 |
CH3CHNOH |
Acetaldoxime |
rOH |
0.956 |
1.024 |
0.068 |
CBr |
Carbon monobromide |
rCBr |
1.821 |
1.889 |
0.068 |
Li2+ |
lithium diatomic cation |
rLiLi |
3.112 |
3.043 |
-0.068 |
HNO3 |
Nitric acid |
rOH |
0.964 |
1.032 |
0.068 |
CHOOCHO |
diformyl ether |
rCO |
1.364 |
1.432 |
0.068 |
H2COO |
Dioxymethyl radical |
rCO |
1.272 |
1.340 |
0.068 |
VO |
Vanadium monoxide |
rVO |
1.589 |
1.522 |
-0.067 |
NF3 |
Nitrogen trifluoride |
rNF |
1.365 |
1.432 |
0.067 |
SeF4 |
Selenium tetrafluoride |
rFSe |
1.771 |
1.838 |
0.067 |
SiP |
Silicon monophosphide |
rSiP |
2.078 |
2.010 |
-0.067 |
SiP |
Silicon monophosphide |
rSiP |
2.078 |
2.010 |
-0.067 |
Be2 |
Beryllium diatomic |
rBeBe |
2.460 |
2.393 |
-0.067 |
C3F6 |
hexafluoropropene |
rCC |
1.513 |
1.580 |
0.067 |
C4H8O2 |
1,3-Dioxane |
rCO |
1.393 |
1.460 |
0.067 |
HOSH |
hydrogen thioperoxide |
rOH |
0.961 |
1.027 |
0.067 |
PO |
Phosphorus monoxide |
rPO |
1.476 |
1.542 |
0.067 |
SiCl3CH3 |
methyltrichlorosilane |
rSiCl |
2.026 |
2.092 |
0.066 |
SeCl2 |
Selenium Dichloride |
rClSe |
2.157 |
2.223 |
0.066 |
LiH |
Lithium Hydride |
rLiH |
1.595 |
1.529 |
-0.066 |
LiH |
Lithium Hydride |
rLiH |
1.595 |
1.529 |
-0.066 |
CF3COOH |
trifluoroacetic acid |
rCF |
1.325 |
1.391 |
0.066 |
PO |
Phosphorus monoxide |
rPO |
1.476 |
1.542 |
0.066 |
PO |
Phosphorus monoxide |
rPO |
1.476 |
1.542 |
0.066 |
CHF3 |
Methane, trifluoro- |
rCF |
1.328 |
1.395 |
0.066 |
OPCl |
Phosphorus oxychloride |
rPO |
1.462 |
1.528 |
0.066 |
HNO |
Nitrosyl hydride |
rNO |
1.209 |
1.275 |
0.066 |
CF2O |
Carbonic difluoride |
rCO |
1.174 |
1.240 |
0.066 |
CF3OF |
Trifluoromethylhypofluorite |
rCF |
1.319 |
1.384 |
0.065 |
CF3OF |
Trifluoromethylhypofluorite |
rCF |
1.319 |
1.384 |
0.065 |
CH3CSNH2 |
Ethanethioamide |
rCN |
1.356 |
1.421 |
0.065 |
CH2 |
Methylene |
rCH |
1.085 |
1.150 |
0.065 |
CH2 |
Methylene |
rCH |
1.085 |
1.150 |
0.065 |
CH2 |
Methylene |
rCH |
1.085 |
1.150 |
0.065 |
CH2 |
Methylene |
rCH |
1.085 |
1.150 |
0.065 |
SiHF3 |
trifluorosilane |
rSiF |
1.563 |
1.628 |
0.065 |
HCCl |
Chloromethylene |
rCCl |
1.696 |
1.761 |
0.065 |
SiH2 |
silicon dihydride |
rSiH |
1.514 |
1.449 |
-0.065 |
CH3OH |
Methyl alcohol |
rOH |
0.956 |
1.021 |
0.065 |
CH3OH |
Methyl alcohol |
rOH |
0.956 |
1.021 |
0.065 |
AlH |
aluminum monohydride |
rAlH |
1.648 |
1.583 |
-0.065 |
O2 |
Oxygen diatomic |
rOO |
1.208 |
1.272 |
0.064 |
O2 |
Oxygen diatomic |
rOO |
1.208 |
1.272 |
0.064 |
CHCl3 |
Chloroform |
rCCl |
1.762 |
1.826 |
0.064 |
HOCH2COOH |
Hydroxyacetic acid |
rCC |
1.495 |
1.559 |
0.064 |
SFCl |
Sulfur chloride fluoride |
rFS |
1.606 |
1.670 |
0.064 |
CH2ClCCCl |
1,3-dichloropropyne |
rCCl |
1.779 |
1.842 |
0.064 |
CF2 |
Difluoromethylene |
rCF |
1.297 |
1.361 |
0.064 |
H2O+ |
water cation |
rOH |
0.999 |
1.062 |
0.063 |
H2O+ |
water cation |
rOH |
0.999 |
1.062 |
0.063 |
Br2 |
Bromine diatomic |
rBrBr |
2.281 |
2.218 |
-0.063 |
Br2 |
Bromine diatomic |
rBrBr |
2.281 |
2.218 |
-0.063 |
O3 |
Ozone |
rOO |
1.278 |
1.341 |
0.063 |
HCOOH |
Formic acid |
rCO |
1.343 |
1.406 |
0.063 |
HCOOH |
Formic acid |
rCO |
1.343 |
1.406 |
0.063 |
C5H8O |
Cyclopentanone |
rCC |
1.504 |
1.567 |
0.063 |
NH2OH |
hydroxylamine |
rOH |
0.962 |
1.025 |
0.063 |
NH2OH |
hydroxylamine |
rOH |
0.962 |
1.025 |
0.063 |
CF3COOH |
trifluoroacetic acid |
rOH |
0.960 |
1.023 |
0.063 |
GaP |
Gallium monophosphide |
rPGa |
2.110 |
2.047 |
-0.063 |
GaP |
Gallium monophosphide |
rPGa |
2.110 |
2.047 |
-0.063 |
GaP |
Gallium monophosphide |
rPGa |
2.110 |
2.047 |
-0.063 |
GaP |
Gallium monophosphide |
rPGa |
2.110 |
2.047 |
-0.063 |
HOI |
Hypoiodous acid |
rOH |
0.967 |
1.030 |
0.063 |
CuO |
Copper Monoxide |
rCuO |
1.724 |
1.662 |
-0.063 |
C6H4Cl2 |
1,4-dichlorobenzene |
rCCl |
1.729 |
1.792 |
0.063 |
C3F8 |
perfluoropropane |
rCF |
1.330 |
1.392 |
0.062 |
C2H3NO |
Nitrosoethylene |
rNO |
1.220 |
1.282 |
0.062 |
B4H10 |
Tetraborane(10) |
rHB |
1.221 |
1.159 |
-0.062 |
CH3NO |
nitrosomethane |
rNO |
1.211 |
1.273 |
0.062 |
N2H2 |
(E)-diazene |
rNN |
1.252 |
1.314 |
0.062 |
N2H2 |
(E)-diazene |
rNN |
1.252 |
1.314 |
0.062 |
HCl |
Hydrogen chloride |
rHCl |
1.275 |
1.336 |
0.062 |
CH2FCH2CH3 |
1-Fluoropropane |
rCC |
1.501 |
1.563 |
0.062 |
CH3CH2O |
Ethoxy radical |
rCO |
1.388 |
1.450 |
0.062 |
H2O |
Water |
rOH |
0.958 |
1.020 |
0.062 |
AlH2 |
aluminum dihydride |
rAlH |
1.590 |
1.528 |
-0.062 |
AlH2 |
aluminum dihydride |
rAlH |
1.590 |
1.528 |
-0.062 |
HCl |
Hydrogen chloride |
rHCl |
1.275 |
1.336 |
0.062 |
CH2FCH2CH3 |
1-Fluoropropane |
rCC |
1.501 |
1.563 |
0.062 |
C2H2O4 |
Oxalic Acid |
rCO |
1.205 |
1.267 |
0.062 |
H2O |
Water |
rOH |
0.958 |
1.019 |
0.062 |
C3H6O |
2-Propen-1-ol |
rOH |
0.960 |
1.022 |
0.062 |
SiCl |
Clorosilylidyne |
rSiCl |
2.061 |
2.123 |
0.062 |
C2H2O4 |
Oxalic Acid |
rCO |
1.205 |
1.266 |
0.061 |
N2O4 |
Dinitrogen tetroxide |
rNN |
1.782 |
1.843 |
0.061 |
NH2 |
Amino radical |
rNH |
1.024 |
1.085 |
0.061 |
NH2 |
Amino radical |
rNH |
1.024 |
1.085 |
0.061 |
N2H2 |
(E)-diazene |
rNH |
1.028 |
1.090 |
0.061 |
N2H2 |
(E)-diazene |
rNH |
1.028 |
1.090 |
0.061 |
CHONH2 |
formamide |
rCN |
1.350 |
1.411 |
0.061 |
C3H5Cl |
1-chloro-1-propene(E) |
rCCl |
1.728 |
1.789 |
0.061 |
SiH2F2 |
difluorosilane |
rSiF |
1.576 |
1.637 |
0.061 |
HOCO+ |
Hydrocarboxyl cation |
rOH |
0.977 |
1.037 |
0.061 |
FSSF |
Difluorodisulfane |
rFS |
1.635 |
1.696 |
0.061 |
AsH |
Arsenic monohydride |
rAsH |
1.535 |
1.474 |
-0.061 |
AsH |
Arsenic monohydride |
rAsH |
1.535 |
1.474 |
-0.061 |
CF2 |
Difluoromethylene |
rCF |
1.297 |
1.358 |
0.061 |
CF2 |
Difluoromethylene |
rCF |
1.297 |
1.358 |
0.061 |
CH2CHCH2F |
Allyl Fluoride |
rCC |
1.480 |
1.541 |
0.061 |
CH2CHCH2F |
Allyl Fluoride |
rCC |
1.480 |
1.541 |
0.061 |
C3H8O2 |
1,3-Propanediol |
rCO |
1.410 |
1.470 |
0.060 |
HCNO |
fulminic acid |
rCH |
1.027 |
1.087 |
0.060 |
HCNO |
fulminic acid |
rCH |
1.027 |
1.087 |
0.060 |
CF2O |
Carbonic difluoride |
rCF |
1.312 |
1.372 |
0.060 |
AsH |
Arsenic monohydride |
rAsH |
1.535 |
1.475 |
-0.060 |
CH2CClCHCH2 |
1,3-Butadiene, 2-chloro- |
rCCl |
1.742 |
1.802 |
0.060 |
NO- |
nitric oxide anion |
rNO |
1.258 |
1.318 |
0.060 |
FCN |
Cyanogen fluoride |
rCF |
1.262 |
1.322 |
0.060 |
HNCS |
Isothiocyanic acid |
rHN |
0.993 |
1.053 |
0.060 |
CH2CHOH |
ethenol |
rOH |
0.960 |
1.020 |
0.060 |
CF3 |
Trifluoromethyl radical |
rCF |
1.318 |
1.378 |
0.060 |
ClOOCl |
Dichlorine dioxide |
rOO |
1.426 |
1.367 |
-0.059 |
HOCl |
hypochlorous acid |
rOH |
0.973 |
1.033 |
0.059 |
BH |
Boron monohydride |
rBH |
1.232 |
1.173 |
-0.059 |
CH2CHCH2F |
Allyl Fluoride |
rCC |
1.480 |
1.539 |
0.059 |
CH2CHCH2F |
Allyl Fluoride |
rCC |
1.480 |
1.539 |
0.059 |
CF3Br |
Bromotrifluoromethane |
rCF |
1.327 |
1.385 |
0.059 |
CF3Br |
Bromotrifluoromethane |
rCF |
1.327 |
1.385 |
0.059 |
HSiCl |
Chlorosilylene |
rSiCl |
2.067 |
2.126 |
0.059 |
CO2 |
Carbon dioxide |
rCO |
1.162 |
1.221 |
0.058 |
CO2 |
Carbon dioxide |
rCO |
1.162 |
1.221 |
0.058 |
HClO4 |
perchloric acid |
rOH |
0.980 |
1.038 |
0.058 |
COBr2 |
Carbonic dibromide |
rCO |
1.172 |
1.230 |
0.058 |
HFCO |
formyl fluoride |
rCO |
1.181 |
1.239 |
0.058 |
HOCO+ |
Hydrocarboxyl cation |
rCO |
1.140 |
1.198 |
0.058 |
HCO |
Formyl radical |
rCH |
1.080 |
1.138 |
0.058 |
KOH |
Potassium hydroxide |
rOK |
2.212 |
2.154 |
-0.058 |
NH2SH |
Thiohydroxylamine |
rNS |
1.719 |
1.777 |
0.058 |
NH2SH |
Thiohydroxylamine |
rNS |
1.719 |
1.777 |
0.058 |
HCO |
Formyl radical |
rCH |
1.080 |
1.138 |
0.058 |
TiCl |
Titanium Monochloride |
rClTi |
2.265 |
2.207 |
-0.058 |
S4 |
Sulfur tetramer |
rSS |
1.898 |
1.956 |
0.058 |
CH2ClI |
chloroiodomethane |
rCCl |
1.774 |
1.832 |
0.058 |
C4H2O3 |
Maleic Anhydride |
rCO |
1.386 |
1.443 |
0.057 |
BN |
boron nitride |
rBN |
1.325 |
1.268 |
-0.057 |
BN |
boron nitride |
rBN |
1.325 |
1.268 |
-0.057 |
SF |
Monosulfur monofluoride |
rSF |
1.599 |
1.657 |
0.057 |
SiH2Cl2 |
dichlorosilane |
rSiCl |
2.033 |
2.090 |
0.057 |
C2H2N2O |
Furazan |
rCN |
1.303 |
1.360 |
0.057 |
Li2O |
dilithium oxide |
rLiO |
1.606 |
1.549 |
-0.057 |
Li2O |
dilithium oxide |
rLiO |
1.606 |
1.549 |
-0.057 |
B4H10 |
Tetraborane(10) |
rHB |
1.315 |
1.258 |
-0.057 |
As4 |
Arsenic tetramer |
rAsAs |
2.435 |
2.378 |
-0.057 |
NO- |
nitric oxide anion |
rNO |
1.258 |
1.315 |
0.057 |
NO- |
nitric oxide anion |
rNO |
1.258 |
1.315 |
0.057 |
C6H4Cl2 |
1,3-dichlorobenzene |
rCCl |
1.736 |
1.792 |
0.056 |
C6H5NO2 |
Nitrobenzene |
rCN |
1.486 |
1.542 |
0.056 |
GeCl |
Germanium monochloride |
rClGe |
2.164 |
2.108 |
-0.056 |
GeCl |
Germanium monochloride |
rClGe |
2.164 |
2.108 |
-0.056 |
NH2F |
monofluoroamine |
rNH |
1.023 |
1.079 |
0.056 |
LiO |
lithium oxide |
rLiO |
1.688 |
1.632 |
-0.056 |
LiO |
lithium oxide |
rLiO |
1.688 |
1.632 |
-0.056 |
HBS |
hydrogen boron sulfide |
rBS |
1.599 |
1.544 |
-0.056 |
NH2OH |
hydroxylamine |
rNH |
1.016 |
1.071 |
0.055 |
NH2OH |
hydroxylamine |
rNH |
1.016 |
1.071 |
0.055 |
CH3OC2H5 |
Ethane, methoxy- |
rCO |
1.407 |
1.462 |
0.055 |
NSe |
Nitrogen monoselenide |
rNSe |
1.652 |
1.707 |
0.055 |
SiH4 |
Silane |
rSiH |
1.480 |
1.425 |
-0.055 |
C6H10O |
cyclohexanone |
rCC |
1.503 |
1.558 |
0.055 |
FCO |
Carbonyl fluoride |
rCO |
1.180 |
1.235 |
0.055 |
HNCNH |
diiminomethane |
rNH |
1.007 |
1.062 |
0.055 |
HNCNH |
diiminomethane |
rNH |
1.007 |
1.062 |
0.055 |
C3H5Cl |
1-chloro-1-propene(Z) |
rCCl |
1.735 |
1.790 |
0.055 |
H2S2 |
Disulfane |
rSS |
2.056 |
2.111 |
0.054 |
CO |
Carbon monoxide |
rCO |
1.128 |
1.183 |
0.054 |
KrH+ |
Protonated Krypton |
rHKr |
1.421 |
1.475 |
0.054 |
CF3COOH |
trifluoroacetic acid |
rCO |
1.353 |
1.407 |
0.054 |
OCS |
Carbonyl sulfide |
rCO |
1.160 |
1.214 |
0.054 |
CH2Cl2 |
Methylene chloride |
rCCl |
1.767 |
1.821 |
0.054 |
NH2SH |
Thiohydroxylamine |
rHN |
1.008 |
1.061 |
0.053 |
NH2SH |
Thiohydroxylamine |
rHN |
1.008 |
1.061 |
0.053 |
NH2SH |
Thiohydroxylamine |
rHN |
1.008 |
1.061 |
0.053 |
NH2SH |
Thiohydroxylamine |
rHN |
1.008 |
1.061 |
0.053 |
NH2CN |
cyanamide |
rCN |
1.347 |
1.400 |
0.053 |
CH |
Methylidyne |
rCH |
1.120 |
1.173 |
0.053 |
CHOOCHO |
diformyl ether |
rCO |
1.184 |
1.237 |
0.053 |
C2H2N2O |
Furazan |
rNO |
1.373 |
1.425 |
0.053 |
CH2CHCH2F |
Allyl Fluoride |
rCC |
1.488 |
1.541 |
0.053 |
CH2CHCH2F |
Allyl Fluoride |
rCC |
1.488 |
1.541 |
0.053 |
S2 |
Sulfur diatomic |
rSS |
1.889 |
1.942 |
0.052 |
CH3SSH |
Hydrogen methyl disulfide |
rSS |
2.038 |
2.090 |
0.052 |
SiH3F |
monofluorosilane |
rSiF |
1.595 |
1.646 |
0.052 |
OCSe |
Carbonyl selenide |
rCSe |
1.709 |
1.657 |
-0.052 |
OCSe |
Carbonyl selenide |
rCSe |
1.709 |
1.657 |
-0.052 |
CH2CO |
Ketene |
rCO |
1.162 |
1.214 |
0.052 |
CF3COOH |
trifluoroacetic acid |
rCO |
1.192 |
1.244 |
0.052 |
C2H5F |
fluoroethane |
rCC |
1.505 |
1.556 |
0.051 |
HOBr |
Hypobromous acid |
rBrO |
1.834 |
1.885 |
0.051 |
HOBr |
Hypobromous acid |
rBrO |
1.834 |
1.885 |
0.051 |
CH3CHClCH3 |
Propane, 2-chloro- |
rCCl |
1.798 |
1.849 |
0.051 |
CH3CHClCH3 |
Propane, 2-chloro- |
rCCl |
1.798 |
1.849 |
0.051 |
CH2CHCH2F |
Allyl Fluoride |
rCC |
1.488 |
1.539 |
0.051 |
CH2CHCH2F |
Allyl Fluoride |
rCC |
1.488 |
1.539 |
0.051 |
AlH+ |
aluminum monohydride cation |
rAlH |
1.602 |
1.551 |
-0.051 |
C3H3NO |
Oxazole |
rCN |
1.292 |
1.342 |
0.051 |
HF+ |
hydrogen fluoride cation |
rHF |
1.014 |
1.065 |
0.051 |
HF+ |
hydrogen fluoride cation |
rHF |
1.014 |
1.065 |
0.051 |
CH3CCl2CH3 |
Propane, 2,2-dichloro- |
rCCl |
1.799 |
1.850 |
0.051 |
N2H4 |
Hydrazine |
rNH |
1.016 |
1.067 |
0.051 |
CH2NH |
Methanimine |
rNH |
1.023 |
1.074 |
0.051 |
HCONHCH3 |
N-methylformamide |
rCN |
1.366 |
1.417 |
0.051 |
HCOOH |
Formic acid |
rOH |
0.972 |
1.023 |
0.051 |
SbF3 |
Antimony Trifluoride |
rFSb |
1.880 |
1.931 |
0.051 |
NH2SH |
Thiohydroxylamine |
rHN |
1.008 |
1.058 |
0.050 |
NH2SH |
Thiohydroxylamine |
rHN |
1.008 |
1.058 |
0.050 |
NH2SH |
Thiohydroxylamine |
rHN |
1.008 |
1.058 |
0.050 |
NH2SH |
Thiohydroxylamine |
rHN |
1.008 |
1.058 |
0.050 |
HCOOH |
Formic acid |
rOH |
0.972 |
1.022 |
0.050 |
C4H2O3 |
Maleic Anhydride |
rCO |
1.192 |
1.242 |
0.050 |
BH3CO |
Borane carbonyl |
rCO |
1.135 |
1.185 |
0.050 |
BH3CO |
Borane carbonyl |
rCO |
1.135 |
1.185 |
0.050 |
CH2ClCHO |
chloroacetaldehyde |
rCCl |
1.782 |
1.832 |
0.050 |
711 molecules.