Species |
Name |
Bond type |
Bond Length (Å) |
Experimental |
Calculated |
Difference |
C4H6 |
1-Methylcyclopropene |
rCH |
1.085 |
4.200 |
3.115 |
C4H6 |
1-Methylcyclopropene |
rCH |
1.087 |
3.426 |
2.339 |
S4 |
Sulfur tetramer |
rSS |
2.155 |
3.136 |
0.981 |
C2H4O3 |
trioxolane124 |
rCN |
1.303 |
2.245 |
0.942 |
HSSSH |
trisulfane |
rHS |
1.344 |
2.257 |
0.914 |
HSSSH |
trisulfane |
rHS |
1.344 |
2.257 |
0.914 |
HSSSH |
trisulfane |
rHS |
1.344 |
2.257 |
0.914 |
HSSSH |
trisulfane |
rHS |
1.344 |
2.257 |
0.914 |
CH3CH2SH |
ethanethiol |
rCH |
1.095 |
1.899 |
0.804 |
CH3CH2SH |
ethanethiol |
rCH |
1.095 |
1.899 |
0.804 |
CH3CH2SH |
ethanethiol |
rCH |
1.095 |
1.895 |
0.800 |
C4H6 |
1-Methylcyclopropene |
rCC |
1.476 |
2.268 |
0.792 |
C4H6 |
1-Methylcyclopropene |
rCH |
1.087 |
1.836 |
0.749 |
C4H6 |
1-Methylcyclopropene |
rCH |
1.098 |
1.782 |
0.684 |
C4H6 |
1-Methylcyclopropene |
rCH |
1.098 |
1.765 |
0.667 |
CH3SO2NH2 |
methanesulfonamide |
rCN |
1.207 |
1.776 |
0.569 |
S4 |
Sulfur tetramer |
rSS |
2.155 |
2.690 |
0.535 |
S4 |
Sulfur tetramer |
rSS |
2.155 |
2.690 |
0.535 |
C4H4N2 |
Succinonitrile |
rCC |
1.561 |
1.095 |
-0.466 |
C4H6 |
1-Methylcyclopropene |
rCH |
1.070 |
1.528 |
0.458 |
Al2 |
Aluminum diatomic |
rAlAl |
2.701 |
3.158 |
0.457 |
Be2 |
Beryllium diatomic |
rBeBe |
2.460 |
2.019 |
-0.441 |
Be2 |
Beryllium diatomic |
rBeBe |
2.460 |
2.020 |
-0.440 |
CH3CH2SH |
ethanethiol |
rCH |
1.089 |
1.526 |
0.437 |
CH3CH2SH |
ethanethiol |
rCH |
1.089 |
1.526 |
0.437 |
S4 |
Sulfur tetramer |
rSS |
1.898 |
2.334 |
0.436 |
CH3CH2SH |
ethanethiol |
rCH |
1.089 |
1.524 |
0.435 |
CH3CH2SH |
ethanethiol |
rCH |
1.092 |
1.526 |
0.434 |
CH3CH2SH |
ethanethiol |
rCH |
1.092 |
1.526 |
0.434 |
C4H10O |
Methyl propyl ether |
rCC |
1.530 |
1.096 |
-0.434 |
CH3CH2SH |
ethanethiol |
rCH |
1.092 |
1.524 |
0.432 |
C4H4N2 |
Succinonitrile |
rCH |
1.123 |
1.553 |
0.431 |
C4H6 |
1-Methylcyclopropene |
rCC |
1.515 |
1.088 |
-0.427 |
C2H4F2 |
1,2-difluoroethane |
rCH |
1.093 |
1.519 |
0.426 |
C2H4F2 |
1,2-difluoroethane |
rCH |
1.093 |
1.519 |
0.426 |
C2H4F2 |
1,2-difluoroethane |
rCH |
1.093 |
1.509 |
0.416 |
C2H4F2 |
1,2-difluoroethane |
rCH |
1.093 |
1.509 |
0.416 |
S3 |
Sulfur trimer |
rSS |
1.917 |
2.319 |
0.402 |
ONNO |
NO dimer |
rNN |
2.236 |
1.838 |
-0.398 |
CH3CH2SH |
ethanethiol |
rCC |
1.528 |
1.899 |
0.371 |
CH3CH2SH |
ethanethiol |
rCC |
1.528 |
1.899 |
0.371 |
CH2CHCH2F |
Allyl Fluoride |
rHC |
1.130 |
1.498 |
0.368 |
CH3CH2SH |
ethanethiol |
rCC |
1.528 |
1.895 |
0.367 |
CH2CHCH2F |
Allyl Fluoride |
rHC |
1.130 |
1.497 |
0.367 |
C3H3NO |
Isoxazole |
rCH |
1.075 |
1.428 |
0.353 |
C4H10O |
Methyl propyl ether |
rCH |
1.099 |
1.444 |
0.345 |
C4H4N2 |
Succinonitrile |
rCH |
1.111 |
1.453 |
0.341 |
GaP |
Gallium monophosphide |
rPGa |
2.450 |
2.120 |
-0.330 |
GaP |
Gallium monophosphide |
rPGa |
2.450 |
2.120 |
-0.330 |
GaP |
Gallium monophosphide |
rPGa |
2.450 |
2.120 |
-0.330 |
GaP |
Gallium monophosphide |
rPGa |
2.450 |
2.120 |
-0.330 |
Al2Cl6 |
Aluminum, di-μ-chlorotetrachlorodi- |
rAlCl |
2.040 |
2.369 |
0.329 |
Ar2+ |
Argon diatomic cation |
rArAr |
2.320 |
2.640 |
0.320 |
FSSF |
Difluorodisulfane |
rSS |
1.890 |
2.198 |
0.308 |
CH3CH2SH |
ethanethiol |
rCS |
1.820 |
1.524 |
-0.296 |
SF5Cl |
sulfur chloropentafluoride |
rSCl |
2.030 |
2.325 |
0.295 |
CH3CH2SH |
ethanethiol |
rCS |
1.820 |
1.526 |
-0.294 |
CH3CH2SH |
ethanethiol |
rCS |
1.820 |
1.526 |
-0.294 |
C2H2+ |
acetylene cation |
rCH |
1.077 |
1.361 |
0.284 |
CaS |
Calcium sulfide |
rSCa |
2.318 |
2.601 |
0.283 |
CaO |
Calcium monoxide |
rOCa |
1.822 |
2.093 |
0.270 |
CaO |
Calcium monoxide |
rOCa |
1.822 |
2.093 |
0.270 |
SOCl2 |
thionyl chloride |
rSCl |
2.076 |
2.346 |
0.270 |
AlP |
Aluminum monophosphide |
rAlP |
2.400 |
2.132 |
-0.268 |
AlP |
Aluminum monophosphide |
rAlP |
2.400 |
2.132 |
-0.268 |
AlP |
Aluminum monophosphide |
rAlP |
2.400 |
2.132 |
-0.268 |
SO2Cl2 |
Sulfuryl chloride |
rSCl |
2.076 |
2.334 |
0.258 |
Si2H2 |
disilyne |
rSiH |
1.668 |
1.925 |
0.257 |
SFCl |
Sulfur chloride fluoride |
rSCl |
1.994 |
2.246 |
0.252 |
Cl2+ |
chlorine diatomic cation |
rClCl |
1.892 |
2.140 |
0.248 |
Cl2+ |
chlorine diatomic cation |
rClCl |
1.892 |
2.140 |
0.248 |
CaBr |
Calcium monobromide |
rCaBr |
2.594 |
2.837 |
0.244 |
ClF3 |
Chlorine trifluoride |
rFCl |
1.597 |
1.836 |
0.239 |
ClF3 |
Chlorine trifluoride |
rFCl |
1.597 |
1.836 |
0.239 |
OPCl |
Phosphorus oxychloride |
rPCl |
2.059 |
2.294 |
0.235 |
Ne2 |
Neon diatomic |
rNeNe |
3.100 |
3.334 |
0.234 |
HClO4 |
perchloric acid |
rOCl |
1.404 |
1.636 |
0.232 |
ClS2 |
Sulfur chloride |
rSCl |
2.071 |
2.303 |
0.232 |
CaCl |
calcium monochloride |
rClCa |
2.437 |
2.667 |
0.230 |
C4H6 |
1-Methylcyclopropene |
rCC |
1.300 |
1.528 |
0.228 |
HClO4 |
perchloric acid |
rOCl |
1.641 |
1.868 |
0.227 |
SCl |
sulfur monochloride |
rSCl |
1.975 |
2.199 |
0.224 |
SCl |
sulfur monochloride |
rSCl |
1.975 |
2.199 |
0.224 |
SCl |
sulfur monochloride |
rSCl |
1.975 |
2.199 |
0.224 |
ClSSCl |
Disulfur dichloride |
rSS |
1.931 |
2.155 |
0.224 |
ClFO3 |
Perchloryl fluoride |
rClO |
1.400 |
1.624 |
0.224 |
OClO |
Chlorine dioxide |
rClO |
1.470 |
1.692 |
0.222 |
CH3SSH |
Hydrogen methyl disulfide |
rSS |
2.038 |
2.260 |
0.222 |
NO3 |
Nitrogen trioxide |
rNO |
1.238 |
1.459 |
0.222 |
OClO |
Chlorine dioxide |
rClO |
1.470 |
1.691 |
0.222 |
OClO |
Chlorine dioxide |
rClO |
1.470 |
1.691 |
0.222 |
Cl2 |
Chlorine diatomic |
rClCl |
1.988 |
2.209 |
0.221 |
Si2H2 |
disilyne |
rSiSi |
2.215 |
1.994 |
-0.221 |
Cl2 |
Chlorine diatomic |
rClCl |
1.988 |
2.209 |
0.221 |
CFCl |
chlorofluoromethylene |
rCCl |
1.714 |
1.931 |
0.217 |
SCl2 |
Sulfur dichloride |
rSCl |
2.013 |
2.230 |
0.217 |
SCl2 |
Sulfur dichloride |
rSCl |
2.013 |
2.230 |
0.217 |
SSO |
Disulfur monoxide |
rSS |
1.884 |
2.101 |
0.217 |
HClO4 |
perchloric acid |
rOCl |
1.414 |
1.630 |
0.216 |
SSO |
Disulfur monoxide |
rSS |
1.884 |
2.100 |
0.216 |
H2S2 |
Disulfane |
rSS |
2.056 |
2.268 |
0.211 |
H2S2 |
Disulfane |
rSS |
2.056 |
2.268 |
0.211 |
CH3SSCH3 |
Disulfide, dimethyl |
rSS |
2.038 |
2.249 |
0.211 |
ClSSCl |
Disulfur dichloride |
rSCl |
2.057 |
2.267 |
0.210 |
ClFO3 |
Perchloryl fluoride |
rFCl |
1.598 |
1.808 |
0.210 |
P4 |
Phosphorus tetramer |
rPP |
2.210 |
2.418 |
0.208 |
ClOF3 |
Chlorine trifluoride oxide |
rOCl |
1.405 |
1.613 |
0.208 |
Cl3PO |
Phosphoryl chloride |
rPCl |
1.989 |
2.195 |
0.206 |
HSSSH |
trisulfane |
rSS |
2.053 |
2.257 |
0.204 |
HSSSH |
trisulfane |
rSS |
2.053 |
2.257 |
0.204 |
HSSSH |
trisulfane |
rSS |
2.053 |
2.257 |
0.204 |
HSSSH |
trisulfane |
rSS |
2.053 |
2.257 |
0.204 |
Mg2 |
Magnesium diatomic |
rMgMg |
3.891 |
3.687 |
-0.204 |
Mg2 |
Magnesium diatomic |
rMgMg |
3.891 |
3.687 |
-0.204 |
HSSSH |
trisulfane |
rSS |
2.054 |
2.257 |
0.203 |
HSSSH |
trisulfane |
rSS |
2.054 |
2.257 |
0.203 |
HSSSH |
trisulfane |
rSS |
2.054 |
2.257 |
0.203 |
HSSSH |
trisulfane |
rSS |
2.054 |
2.257 |
0.203 |
I2 |
Iodine diatomic |
rII |
2.665 |
2.868 |
0.203 |
I2 |
Iodine diatomic |
rII |
2.665 |
2.868 |
0.203 |
Si2H2 |
disilyne |
rSiH |
1.668 |
1.466 |
-0.202 |
PCl |
phosphorus chloride |
rPCl |
2.018 |
2.216 |
0.199 |
GaP |
Gallium monophosphide |
rPGa |
2.110 |
2.307 |
0.197 |
GaP |
Gallium monophosphide |
rPGa |
2.110 |
2.307 |
0.197 |
GaP |
Gallium monophosphide |
rPGa |
2.110 |
2.307 |
0.197 |
GaP |
Gallium monophosphide |
rPGa |
2.110 |
2.307 |
0.197 |
BrCl |
Bromine monochloride |
rClBr |
2.136 |
2.328 |
0.192 |
BrCl |
Bromine monochloride |
rClBr |
2.136 |
2.328 |
0.192 |
NCl |
nitrogen monochloride |
rNCl |
1.611 |
1.803 |
0.192 |
NCl |
nitrogen monochloride |
rNCl |
1.611 |
1.803 |
0.192 |
S8 |
Octasulfur |
rSS |
2.059 |
2.249 |
0.190 |
S3 |
Sulfur trimer |
rSS |
1.917 |
2.106 |
0.189 |
S3 |
Sulfur trimer |
rSS |
1.917 |
2.106 |
0.189 |
PCl3 |
Phosphorus trichloride |
rPCl |
2.043 |
2.231 |
0.188 |
PCl5 |
Phosphorus pentachloride |
rPCl |
2.020 |
2.207 |
0.187 |
ClOF3 |
Chlorine trifluoride oxide |
rFCl |
1.603 |
1.790 |
0.187 |
CaBr2 |
Calcium dibromide |
rCaBr |
2.616 |
2.803 |
0.187 |
PCl5 |
Phosphorus pentachloride |
rPCl |
2.124 |
2.308 |
0.184 |
IBr |
Iodine monobromide |
rBrI |
2.469 |
2.650 |
0.181 |
PCl |
phosphorus chloride |
rPCl |
2.018 |
2.198 |
0.180 |
ClS2 |
Sulfur chloride |
rSS |
1.906 |
2.084 |
0.178 |
ICl |
Iodine monochloride |
rClI |
2.321 |
2.499 |
0.178 |
Al2 |
Aluminum diatomic |
rAlAl |
2.701 |
2.524 |
-0.177 |
Al2 |
Aluminum diatomic |
rAlAl |
2.701 |
2.524 |
-0.177 |
S2 |
Sulfur diatomic |
rSS |
1.889 |
2.065 |
0.176 |
Br2 |
Bromine diatomic |
rBrBr |
2.281 |
2.452 |
0.171 |
Br2 |
Bromine diatomic |
rBrBr |
2.281 |
2.452 |
0.171 |
S2 |
Sulfur diatomic |
rSS |
1.889 |
2.060 |
0.171 |
S2 |
Sulfur diatomic |
rSS |
1.889 |
2.060 |
0.171 |
CCl |
carbon monochloride |
rCCl |
1.649 |
1.820 |
0.171 |
CCl |
carbon monochloride |
rCCl |
1.649 |
1.820 |
0.171 |
PBr3 |
Phosphorus tribromide |
rPBr |
2.220 |
2.389 |
0.169 |
CaH |
Calcium monohydride |
rCaH |
2.003 |
2.169 |
0.166 |
CaH |
Calcium monohydride |
rCaH |
2.003 |
2.169 |
0.166 |
Si2H2 |
disilyne |
rSiH |
1.668 |
1.503 |
-0.165 |
S4 |
Sulfur tetramer |
rSS |
1.898 |
2.061 |
0.163 |
S4 |
Sulfur tetramer |
rSS |
1.898 |
2.061 |
0.163 |
K2 |
Potassium diatomic |
rKK |
3.905 |
4.068 |
0.163 |
CaC |
Calcium monocarbide |
rCCa |
2.302 |
2.463 |
0.162 |
NaO |
sodium monoxide |
rONa |
2.052 |
1.890 |
-0.161 |
NaO |
sodium monoxide |
rONa |
2.052 |
1.890 |
-0.161 |
LiK |
Lithium Potassium |
rLiK |
3.270 |
3.430 |
0.160 |
SeCl2 |
Selenium Dichloride |
rClSe |
2.157 |
2.316 |
0.159 |
HCCl |
Chloromethylene |
rCCl |
1.696 |
1.855 |
0.159 |
SiBr |
Silicon monobromide |
rSiBr |
2.209 |
2.367 |
0.158 |
HSiCl |
Chlorosilylene |
rSiCl |
2.067 |
2.224 |
0.157 |
ClF3 |
Chlorine trifluoride |
rFCl |
1.597 |
1.753 |
0.156 |
ClF3 |
Chlorine trifluoride |
rFCl |
1.597 |
1.753 |
0.156 |
SiCl |
Clorosilylidyne |
rSiCl |
2.061 |
2.217 |
0.156 |
SiCl |
Clorosilylidyne |
rSiCl |
2.061 |
2.217 |
0.155 |
C2H6O2S |
Dimethyl sulfone |
rSO |
1.431 |
1.585 |
0.154 |
C2H6O2S |
Dimethyl sulfone |
rSO |
1.431 |
1.585 |
0.154 |
NCl |
nitrogen monochloride |
rNCl |
1.611 |
1.764 |
0.153 |
S2N2 |
Disulfur dinitride |
rNS |
1.642 |
1.795 |
0.153 |
ClO |
Monochlorine monoxide |
rClO |
1.596 |
1.748 |
0.152 |
ClO |
Monochlorine monoxide |
rClO |
1.596 |
1.748 |
0.152 |
CCl2 |
dichloromethylene |
rCCl |
1.711 |
1.863 |
0.152 |
ClO |
Monochlorine monoxide |
rClO |
1.596 |
1.748 |
0.152 |
CHF2CHF2 |
1,1,2,2-tetrafluoroethane |
rCF |
1.359 |
1.509 |
0.150 |
Si2 |
Silicon diatomic |
rSiSi |
2.246 |
2.097 |
-0.149 |
CHF2Cl |
difluorochloromethane |
rCCl |
1.747 |
1.896 |
0.149 |
CuF |
Copper monofluoride |
rCuF |
1.745 |
1.596 |
-0.148 |
SO3 |
Sulfur trioxide |
rSO |
1.418 |
1.566 |
0.148 |
SO3 |
Sulfur trioxide |
rSO |
1.418 |
1.565 |
0.148 |
P2H4 |
Diphosphine |
rPP |
2.219 |
2.366 |
0.147 |
As4 |
Arsenic tetramer |
rAsAs |
2.435 |
2.580 |
0.145 |
CH3SOCH3 |
Dimethyl sulfoxide |
rSO |
1.485 |
1.630 |
0.145 |
CH3COCl |
Acetyl Chloride |
rCCl |
1.798 |
1.943 |
0.145 |
IO |
Iodine monoxide |
rIO |
1.868 |
2.012 |
0.145 |
He2+ |
helium diatomic cation |
rHeHe |
1.081 |
1.225 |
0.144 |
He2+ |
helium diatomic cation |
rHeHe |
1.081 |
1.225 |
0.144 |
S2+ |
sulfur diatomic cation |
rSS |
1.825 |
1.969 |
0.144 |
CH3OCl |
methyl hypochlorite |
rOCl |
1.674 |
1.817 |
0.143 |
ClOOCl |
Dichlorine dioxide |
rOCl |
1.704 |
1.847 |
0.143 |
GaP |
Gallium monophosphide |
rPGa |
2.450 |
2.307 |
-0.143 |
GaP |
Gallium monophosphide |
rPGa |
2.450 |
2.307 |
-0.143 |
GaP |
Gallium monophosphide |
rPGa |
2.450 |
2.307 |
-0.143 |
GaP |
Gallium monophosphide |
rPGa |
2.450 |
2.307 |
-0.143 |
HSiBr |
monobromosilylene |
rSiBr |
2.237 |
2.379 |
0.142 |
SeS |
Selenium monosulfide |
rSSe |
2.037 |
2.177 |
0.140 |
ClF3 |
Chlorine trifluoride |
rFCl |
1.697 |
1.836 |
0.139 |
ClF3 |
Chlorine trifluoride |
rFCl |
1.697 |
1.836 |
0.139 |
CBrClF2 |
Methane, bromochlorodifluoro- |
rCCl |
1.736 |
1.875 |
0.139 |
SO2 |
Sulfur dioxide |
rSO |
1.432 |
1.571 |
0.139 |
SO2 |
Sulfur dioxide |
rSO |
1.432 |
1.571 |
0.139 |
SiCl2 |
Dichlorosilylene |
rSiCl |
2.076 |
2.214 |
0.138 |
SSO |
Disulfur monoxide |
rSO |
1.456 |
1.594 |
0.138 |
SSO |
Disulfur monoxide |
rSO |
1.456 |
1.594 |
0.138 |
H2SO4 |
Sulfuric acid |
rSO |
1.422 |
1.559 |
0.137 |
SO2F2 |
Sulfuryl fluoride |
rOS |
1.405 |
1.541 |
0.136 |
SiBr+ |
Silicon monobromide cation |
rSiBr |
2.095 |
2.232 |
0.136 |
Se2 |
Selenium diatomic |
rSeSe |
2.166 |
2.302 |
0.136 |
Be2 |
Beryllium diatomic |
rBeBe |
2.460 |
2.596 |
0.136 |
N2 |
Nitrogen diatomic |
rNN |
1.098 |
1.233 |
0.136 |
N2 |
Nitrogen diatomic |
rNN |
1.098 |
1.233 |
0.136 |
SO2F2 |
Sulfuryl fluoride |
rFS |
1.530 |
1.665 |
0.135 |
CH2FCl |
fluorochloromethane |
rCCl |
1.762 |
1.897 |
0.135 |
NCl3 |
nitrogen trichloride |
rNCl |
1.754 |
1.887 |
0.134 |
NCl3 |
nitrogen trichloride |
rNCl |
1.754 |
1.887 |
0.134 |
KBr |
Potassium Bromide |
rKBr |
2.821 |
2.955 |
0.134 |
AlCl |
Aluminum monochloride |
rAlCl |
2.130 |
2.264 |
0.133 |
H2SO4 |
Sulfuric acid |
rSO |
1.574 |
1.707 |
0.133 |
F2SO |
Thionyl Fluoride |
rOS |
1.413 |
1.544 |
0.131 |
CHFClBr |
fluorochlorobromomethane |
rCCl |
1.745 |
1.876 |
0.131 |
CHFClBr |
fluorochlorobromomethane |
rCCl |
1.745 |
1.876 |
0.131 |
SO |
Sulfur monoxide |
rSO |
1.481 |
1.612 |
0.131 |
SO |
Sulfur monoxide |
rSO |
1.481 |
1.612 |
0.131 |
SO |
Sulfur monoxide |
rSO |
1.481 |
1.612 |
0.131 |
SO |
Sulfur monoxide |
rSO |
1.481 |
1.612 |
0.131 |
GaP |
Gallium monophosphide |
rPGa |
2.250 |
2.120 |
-0.130 |
GaP |
Gallium monophosphide |
rPGa |
2.250 |
2.120 |
-0.130 |
GaP |
Gallium monophosphide |
rPGa |
2.250 |
2.120 |
-0.130 |
GaP |
Gallium monophosphide |
rPGa |
2.250 |
2.120 |
-0.130 |
SOF4 |
Sulfur tetrafluoride oxide |
rSO |
1.409 |
1.539 |
0.130 |
Se2 |
Selenium diatomic |
rSeSe |
2.166 |
2.296 |
0.130 |
Se2 |
Selenium diatomic |
rSeSe |
2.166 |
2.296 |
0.130 |
Se2 |
Selenium diatomic |
rSeSe |
2.166 |
2.296 |
0.130 |
SO |
Sulfur monoxide |
rSO |
1.481 |
1.611 |
0.130 |
SO |
Sulfur monoxide |
rSO |
1.481 |
1.611 |
0.130 |
SO |
Sulfur monoxide |
rSO |
1.481 |
1.611 |
0.130 |
SO |
Sulfur monoxide |
rSO |
1.481 |
1.611 |
0.130 |
SO |
Sulfur monoxide |
rSO |
1.481 |
1.611 |
0.130 |
SO |
Sulfur monoxide |
rSO |
1.481 |
1.611 |
0.130 |
LiO |
lithium oxide |
rLiO |
1.688 |
1.559 |
-0.130 |
LiO |
lithium oxide |
rLiO |
1.688 |
1.559 |
-0.130 |
SiH3Cl |
chlorosilane |
rSiCl |
2.051 |
2.180 |
0.130 |
AlI |
Aluminum monoiodide |
rAlI |
2.537 |
2.667 |
0.129 |
FOO |
Dioxygen monofluoride radical |
rOO |
1.200 |
1.329 |
0.129 |
SiH3Cl |
chlorosilane |
rSiCl |
2.051 |
2.179 |
0.129 |
NBr |
nitrogen monobromide |
rNBr |
1.765 |
1.893 |
0.128 |
AlP |
Aluminum monophosphide |
rAlP |
2.260 |
2.132 |
-0.128 |
AlP |
Aluminum monophosphide |
rAlP |
2.260 |
2.132 |
-0.128 |
AlP |
Aluminum monophosphide |
rAlP |
2.260 |
2.132 |
-0.128 |
CH3CHClCH2CH3 |
Butane, 2-chloro- |
rCCl |
1.781 |
1.906 |
0.125 |
ClNO2 |
Nitryl chloride |
rNCl |
1.840 |
1.965 |
0.125 |
XeF2 |
Xenon difluoride |
rFXe |
1.974 |
2.099 |
0.124 |
SiH2Cl2 |
dichlorosilane |
rSiCl |
2.033 |
2.157 |
0.124 |
SiH2Cl2 |
dichlorosilane |
rSiCl |
2.033 |
2.157 |
0.124 |
AsCl3 |
Arsenous trichloride |
rClAs |
2.166 |
2.288 |
0.123 |
SOF4 |
Sulfur tetrafluoride oxide |
rFS |
1.539 |
1.662 |
0.123 |
ClF3 |
Chlorine trifluoride |
rFCl |
1.697 |
1.819 |
0.122 |
ClF3 |
Chlorine trifluoride |
rFCl |
1.697 |
1.819 |
0.122 |
SF4 |
Sulfur tetrafluoride |
rSF |
1.545 |
1.667 |
0.122 |
SF4 |
Sulfur tetrafluoride |
rSF |
1.545 |
1.667 |
0.122 |
SiH3Br |
bromosilane |
rSiBr |
2.210 |
2.331 |
0.121 |
FOO |
Dioxygen monofluoride radical |
rFO |
1.649 |
1.528 |
-0.121 |
GaP |
Gallium monophosphide |
rPGa |
2.240 |
2.120 |
-0.120 |
GaP |
Gallium monophosphide |
rPGa |
2.240 |
2.120 |
-0.120 |
GaP |
Gallium monophosphide |
rPGa |
2.240 |
2.120 |
-0.120 |
GaP |
Gallium monophosphide |
rPGa |
2.240 |
2.120 |
-0.120 |
PS |
phosphorus sulfide |
rPS |
1.900 |
2.020 |
0.120 |
PS |
phosphorus sulfide |
rPS |
1.900 |
2.020 |
0.120 |
CH2ClCCCl |
1,3-dichloropropyne |
rCCl |
1.779 |
1.898 |
0.119 |
ZnCN |
Zinc monocyanide |
rCZn |
1.950 |
1.830 |
-0.119 |
SiHCl3 |
Trichlorosilane |
rSiCl |
2.020 |
2.139 |
0.119 |
ClOF3 |
Chlorine trifluoride oxide |
rFCl |
1.713 |
1.831 |
0.118 |
CBr |
Carbon monobromide |
rCBr |
1.821 |
1.939 |
0.118 |
SiCl3CH3 |
methyltrichlorosilane |
rSiCl |
2.026 |
2.144 |
0.118 |
SOCl2 |
thionyl chloride |
rSO |
1.443 |
1.560 |
0.117 |
SO2Cl2 |
Sulfuryl chloride |
rSO |
1.443 |
1.560 |
0.117 |
NHCl2 |
dichloroamine |
rNCl |
1.760 |
1.877 |
0.117 |
Cl2O |
Dichlorine monoxide |
rClO |
1.696 |
1.813 |
0.117 |
KCl |
Potassium Chloride |
rKCl |
2.667 |
2.783 |
0.117 |
ClF5 |
chlorinepentafluoride |
rFCl |
1.650 |
1.766 |
0.116 |
HOSH |
hydrogen thioperoxide |
rSO |
1.662 |
1.777 |
0.115 |
HOCl |
hypochlorous acid |
rClO |
1.697 |
1.812 |
0.115 |
HOCl |
hypochlorous acid |
rClO |
1.697 |
1.812 |
0.114 |
PO- |
phosphorus monoxide anion |
rOP |
1.540 |
1.654 |
0.114 |
CaF |
Calcium monofluoride |
rFCa |
1.967 |
2.081 |
0.114 |
CF3Cl |
Methane, chlorotrifluoro- |
rCCl |
1.752 |
1.865 |
0.113 |
CF3Cl |
Methane, chlorotrifluoro- |
rCCl |
1.752 |
1.865 |
0.113 |
SbCl3 |
Antimony Trichloride |
rSbCl |
2.333 |
2.446 |
0.113 |
KrF2 |
Krypton difluoride |
rFKr |
1.875 |
1.988 |
0.113 |
SiI4 |
silicon tetraiodide |
rSiI |
2.432 |
2.545 |
0.113 |
Cu2 |
Copper diatomic |
rCuCu |
2.220 |
2.333 |
0.113 |
CF2Cl2 |
difluorodichloromethane |
rCCl |
1.744 |
1.857 |
0.113 |
CF2Cl2 |
difluorodichloromethane |
rCCl |
1.744 |
1.857 |
0.113 |
BrO |
Bromine monoxide |
rOBr |
1.718 |
1.830 |
0.112 |
C3H5Cl3 |
Propane, 1,2,3-trichloro- |
rCCl |
1.790 |
1.902 |
0.112 |
F2SO |
Thionyl Fluoride |
rFS |
1.585 |
1.698 |
0.112 |
CH2ClCH2CH2CH3 |
Butane, 1-chloro- |
rCCl |
1.780 |
1.892 |
0.112 |
CH2ClCHCHCH3 |
2-Butene, 1-chloro- |
rCCl |
1.807 |
1.919 |
0.112 |
SO |
Sulfur monoxide |
rOS |
1.500 |
1.612 |
0.112 |
SO |
Sulfur monoxide |
rOS |
1.500 |
1.612 |
0.112 |
SO |
Sulfur monoxide |
rOS |
1.500 |
1.612 |
0.112 |
SO |
Sulfur monoxide |
rOS |
1.500 |
1.612 |
0.112 |
BrO |
Bromine monoxide |
rOBr |
1.718 |
1.829 |
0.111 |
AlP |
Aluminum monophosphide |
rAlP |
2.400 |
2.289 |
-0.111 |
AlP |
Aluminum monophosphide |
rAlP |
2.400 |
2.289 |
-0.111 |
AlP |
Aluminum monophosphide |
rAlP |
2.400 |
2.289 |
-0.111 |
AlP |
Aluminum monophosphide |
rAlP |
2.400 |
2.289 |
-0.111 |
AlP |
Aluminum monophosphide |
rAlP |
2.400 |
2.289 |
-0.111 |
AlP |
Aluminum monophosphide |
rAlP |
2.400 |
2.289 |
-0.111 |
SO |
Sulfur monoxide |
rOS |
1.500 |
1.611 |
0.111 |
SO |
Sulfur monoxide |
rOS |
1.500 |
1.611 |
0.111 |
SO |
Sulfur monoxide |
rOS |
1.500 |
1.611 |
0.111 |
SO |
Sulfur monoxide |
rOS |
1.500 |
1.611 |
0.111 |
SO |
Sulfur monoxide |
rOS |
1.500 |
1.611 |
0.111 |
SO |
Sulfur monoxide |
rOS |
1.500 |
1.611 |
0.111 |
SO+ |
sulfur monoxide cation |
rOS |
1.424 |
1.535 |
0.111 |
SO+ |
sulfur monoxide cation |
rOS |
1.424 |
1.535 |
0.111 |
C2H2ClF |
1-chloro-1-fluoroethylene |
rCCl |
1.704 |
1.814 |
0.110 |
CH2BrCl |
Methane, bromochloro- |
rCCl |
1.755 |
1.865 |
0.110 |
XeF4 |
Xenon tetrafluoride |
rFXe |
1.935 |
2.044 |
0.110 |
CH3CCl(CH3)CH3 |
Propane, 2-chloro-2-methyl- |
rCCl |
1.803 |
1.913 |
0.110 |
SiBr4 |
Silicon tetrabromide |
rSiBr |
2.183 |
2.292 |
0.109 |
PO2 |
Phosphorus dioxide |
rPO |
1.467 |
1.575 |
0.109 |
AlBr |
Aluminum monobromide |
rAlBr |
2.295 |
2.403 |
0.108 |
CH3CHClCH3 |
Propane, 2-chloro- |
rCCl |
1.798 |
1.905 |
0.107 |
CH3CHClCH3 |
Propane, 2-chloro- |
rCCl |
1.798 |
1.905 |
0.107 |
CO |
Carbon monoxide |
rCO |
1.128 |
1.235 |
0.107 |
SiCl4 |
Silane, tetrachloro- |
rSiCl |
2.019 |
2.125 |
0.106 |
Si2H2 |
disilyne |
rSiSi |
2.215 |
2.109 |
-0.106 |
ClF |
Chlorine monofluoride |
rFCl |
1.628 |
1.734 |
0.106 |
ClF |
Chlorine monofluoride |
rFCl |
1.628 |
1.734 |
0.106 |
FSN |
Thiazyl fluoride |
rFS |
1.643 |
1.749 |
0.106 |
C2H4S |
Thiirane |
rCS |
1.815 |
1.920 |
0.105 |
C2H4S |
Thiirane |
rCS |
1.815 |
1.920 |
0.105 |
GeCl |
Germanium monochloride |
rClGe |
2.164 |
2.269 |
0.105 |
ClCOClCO |
Oxalyl chloride |
rCCl |
1.744 |
1.849 |
0.105 |
CH3CH2Cl |
Ethyl chloride |
rCCl |
1.789 |
1.894 |
0.105 |
GeCl |
Germanium monochloride |
rClGe |
2.164 |
2.268 |
0.105 |
CH3SOCH3 |
Dimethyl sulfoxide |
rCS |
1.799 |
1.903 |
0.104 |
CuO |
Copper Monoxide |
rCuO |
1.724 |
1.620 |
-0.104 |
SF2 |
sulfur difluoride |
rSF |
1.587 |
1.690 |
0.103 |
SF2 |
sulfur difluoride |
rSF |
1.587 |
1.690 |
0.103 |
PF+ |
phosphorus monofluoride cation |
rFP |
1.500 |
1.603 |
0.103 |
CH2Cl |
chloromethyl radical |
rCCl |
1.691 |
1.794 |
0.103 |
CH2Cl |
chloromethyl radical |
rCCl |
1.691 |
1.794 |
0.103 |
CH2Cl |
chloromethyl radical |
rCCl |
1.691 |
1.794 |
0.103 |
CH2Cl |
chloromethyl radical |
rCCl |
1.691 |
1.794 |
0.103 |
CCl2O |
Phosgene |
rCCl |
1.737 |
1.839 |
0.103 |
N2 |
Nitrogen diatomic |
rNN |
1.213 |
1.110 |
-0.103 |
N2 |
Nitrogen diatomic |
rNN |
1.213 |
1.110 |
-0.103 |
N2 |
Nitrogen diatomic |
rNN |
1.213 |
1.110 |
-0.103 |
N2 |
Nitrogen diatomic |
rNN |
1.213 |
1.110 |
-0.103 |
N2 |
Nitrogen diatomic |
rNN |
1.213 |
1.110 |
-0.102 |
N2 |
Nitrogen diatomic |
rNN |
1.213 |
1.110 |
-0.102 |
N2 |
Nitrogen diatomic |
rNN |
1.213 |
1.110 |
-0.102 |
N2 |
Nitrogen diatomic |
rNN |
1.213 |
1.110 |
-0.102 |
P2+ |
phosphorus diatomic cation |
rPP |
1.986 |
2.088 |
0.102 |
NS |
Mononitrogen monosulfide |
rNS |
1.497 |
1.598 |
0.101 |
CH2CHCHClCH3 |
1-Butene, 3-chloro- |
rCCl |
1.813 |
1.914 |
0.101 |
GaAs |
Gallium arsenide |
rGaAs |
2.530 |
2.631 |
0.101 |
GaAs |
Gallium arsenide |
rGaAs |
2.530 |
2.631 |
0.101 |
CH2Cl |
chloromethyl radical |
rCCl |
1.691 |
1.792 |
0.101 |
CH2Cl |
chloromethyl radical |
rCCl |
1.691 |
1.792 |
0.101 |
CH2CHCH2CH2Cl |
1-Butene, 4-chloro- |
rCCl |
1.794 |
1.894 |
0.100 |
CH2ClCH2CH3 |
Propane, 1-chloro- |
rCCl |
1.796 |
1.896 |
0.100 |
CH2ClCH2CH3 |
Propane, 1-chloro- |
rCCl |
1.796 |
1.896 |
0.100 |
CH2ClCH2CH3 |
Propane, 1-chloro- |
rCCl |
1.796 |
1.896 |
0.100 |
CH2ClCH2CH3 |
Propane, 1-chloro- |
rCCl |
1.796 |
1.896 |
0.100 |
FSN |
Thiazyl fluoride |
rNS |
1.448 |
1.546 |
0.098 |
CH3CHCl2 |
Ethane, 1,1-dichloro- |
rCCl |
1.766 |
1.864 |
0.098 |
MgCl |
magnesium monochloride |
rMgCl |
2.199 |
2.297 |
0.098 |
CH2ClCHClCH3 |
Propane, 1,2-dichloro- |
rCCl |
1.793 |
1.889 |
0.096 |
CH2ClCH2Cl |
Ethane, 1,2-dichloro- |
rCCl |
1.790 |
1.886 |
0.096 |
CH2ClCH2Cl |
Ethane, 1,2-dichloro- |
rCCl |
1.790 |
1.886 |
0.096 |
AlCl3 |
Aluminum trichloride |
rAlCl |
2.060 |
2.156 |
0.096 |
CH2ClCH2CH3 |
Propane, 1-chloro- |
rCCl |
1.796 |
1.892 |
0.096 |
CH2ClCH2CH3 |
Propane, 1-chloro- |
rCCl |
1.796 |
1.892 |
0.096 |
CH2ClCH2CH3 |
Propane, 1-chloro- |
rCCl |
1.796 |
1.892 |
0.096 |
CH2ClCH2CH3 |
Propane, 1-chloro- |
rCCl |
1.796 |
1.892 |
0.096 |
CuH |
Copper monohydride |
rCuH |
1.463 |
1.367 |
-0.096 |
CuH |
Copper monohydride |
rCuH |
1.463 |
1.367 |
-0.096 |
CH2ClCHCl2 |
1,1,2-trichloroethane |
rCCl |
1.776 |
1.871 |
0.095 |
SF5Cl |
sulfur chloropentafluoride |
rFS |
1.576 |
1.671 |
0.095 |
SF6 |
Sulfur Hexafluoride |
rSF |
1.561 |
1.655 |
0.095 |
SF6 |
Sulfur Hexafluoride |
rSF |
1.561 |
1.655 |
0.095 |
C2H3Cl |
Ethene, chloro- |
rCCl |
1.726 |
1.821 |
0.095 |
CH2ClI |
chloroiodomethane |
rCCl |
1.774 |
1.868 |
0.094 |
CH3Cl |
Methyl chloride |
rCCl |
1.785 |
1.880 |
0.094 |
CH3Cl |
Methyl chloride |
rCCl |
1.785 |
1.879 |
0.094 |
CH3Cl |
Methyl chloride |
rCCl |
1.785 |
1.879 |
0.094 |
C3H5Cl |
1-chloro-1-propene(E) |
rCCl |
1.728 |
1.822 |
0.094 |
CH2ClCHO |
chloroacetaldehyde |
rCCl |
1.782 |
1.876 |
0.094 |
Cl3PO |
Phosphoryl chloride |
rPO |
1.455 |
1.549 |
0.094 |
Si2H2 |
disilyne |
rSiSi |
2.215 |
2.309 |
0.093 |
Li2 |
Lithium diatomic |
rLiLi |
2.673 |
2.766 |
0.093 |
NaI |
Sodium Iodide |
rNaI |
2.711 |
2.804 |
0.093 |
PO |
Phosphorus monoxide |
rPO |
1.476 |
1.568 |
0.092 |
C3H5ClO |
Oxirane, (chloromethyl)- |
rCCl |
1.798 |
1.890 |
0.092 |
PO |
Phosphorus monoxide |
rPO |
1.476 |
1.568 |
0.092 |
PO |
Phosphorus monoxide |
rPO |
1.476 |
1.568 |
0.092 |
NH2SH |
Thiohydroxylamine |
rNS |
1.705 |
1.797 |
0.092 |
NH2SH |
Thiohydroxylamine |
rNS |
1.705 |
1.797 |
0.092 |
Li2 |
Lithium diatomic |
rLiLi |
2.673 |
2.765 |
0.092 |
NH2SH |
Thiohydroxylamine |
rNS |
1.705 |
1.797 |
0.092 |
NH2SH |
Thiohydroxylamine |
rNS |
1.705 |
1.797 |
0.092 |
SF |
Monosulfur monofluoride |
rSF |
1.599 |
1.691 |
0.091 |
SF |
Monosulfur monofluoride |
rSF |
1.599 |
1.691 |
0.091 |
C2H6O2S |
Dimethyl sulfone |
rCS |
1.777 |
1.868 |
0.091 |
C2H6O2S |
Dimethyl sulfone |
rCS |
1.777 |
1.868 |
0.091 |
CHClCHCl |
Ethene, 1,2-dichloro-, (E)- |
rCCl |
1.718 |
1.809 |
0.091 |
CH2CClCHCH2 |
1,3-Butadiene, 2-chloro- |
rCCl |
1.742 |
1.833 |
0.091 |
C3H5Cl |
1-chloro-1-propene(Z) |
rCCl |
1.735 |
1.825 |
0.090 |
C6H5Cl |
chlorobenzene |
rCCl |
1.725 |
1.815 |
0.090 |
BrF5 |
bromine pentafluoride |
rFBr |
1.689 |
1.778 |
0.089 |
CH2BrF |
Methane, bromofluoro- |
rCBr |
1.915 |
2.004 |
0.089 |
BrF3 |
Bromine trifluoride |
rFBr |
1.721 |
1.809 |
0.088 |
AlP |
Aluminum monophosphide |
rAlP |
2.220 |
2.132 |
-0.088 |
AlP |
Aluminum monophosphide |
rAlP |
2.220 |
2.132 |
-0.088 |
AlP |
Aluminum monophosphide |
rAlP |
2.220 |
2.132 |
-0.088 |
F3PO |
Phosphoryl fluoride |
rPO |
1.436 |
1.523 |
0.087 |
NaLi |
lithium sodium |
rLiNa |
2.889 |
2.976 |
0.087 |
NaLi |
lithium sodium |
rLiNa |
2.889 |
2.976 |
0.087 |
SOF4 |
Sulfur tetrafluoride oxide |
rFS |
1.596 |
1.683 |
0.087 |
Al2Cl6 |
Aluminum, di-μ-chlorotetrachlorodi- |
rAlCl |
2.240 |
2.153 |
-0.087 |
SFCl |
Sulfur chloride fluoride |
rFS |
1.606 |
1.693 |
0.087 |
SiS |
silicon monosulfide |
rSiS |
1.929 |
2.016 |
0.086 |
O2 |
Oxygen diatomic |
rOO |
1.208 |
1.294 |
0.086 |
SiS |
silicon monosulfide |
rSiS |
1.929 |
2.015 |
0.086 |
C2Cl2 |
dichloroacetylene |
rCCl |
1.612 |
1.697 |
0.086 |
OH- |
hydroxide anion |
rOH |
0.964 |
1.050 |
0.086 |
CH2CCl2 |
Ethene, 1,1-dichloro- |
rCCl |
1.710 |
1.796 |
0.086 |
GaAs |
Gallium arsenide |
rGaAs |
2.530 |
2.615 |
0.085 |
GaAs |
Gallium arsenide |
rGaAs |
2.530 |
2.615 |
0.085 |
OH- |
hydroxide anion |
rOH |
0.964 |
1.049 |
0.085 |
CH3SCH2CH3 |
Ethane, (methylthio)- |
rCS |
1.804 |
1.889 |
0.085 |
C4H6S |
Thiophene, 2,5-dihydro- |
rCS |
1.816 |
1.901 |
0.085 |
BrO+ |
Bromine monoxide cation |
rOBr |
1.635 |
1.720 |
0.085 |
F3PO |
Phosphoryl fluoride |
rFP |
1.524 |
1.609 |
0.085 |
CH2ClCH2Cl |
Ethane, 1,2-dichloro- |
rCCl |
1.790 |
1.874 |
0.084 |
CH2ClCH2Cl |
Ethane, 1,2-dichloro- |
rCCl |
1.790 |
1.874 |
0.084 |
KH |
Potassium hydride |
rKH |
2.243 |
2.327 |
0.084 |
KH |
Potassium hydride |
rKH |
2.243 |
2.327 |
0.084 |
CH2Cl2 |
Methylene chloride |
rCCl |
1.767 |
1.851 |
0.084 |
CH2Cl2 |
Methylene chloride |
rCCl |
1.767 |
1.851 |
0.084 |
SiP |
Silicon monophosphide |
rSiP |
2.078 |
2.161 |
0.084 |
AlS |
Aluminum sulfide |
rAlS |
2.029 |
2.112 |
0.083 |
AlS |
Aluminum sulfide |
rAlS |
2.029 |
2.112 |
0.083 |
OPCl |
Phosphorus oxychloride |
rPO |
1.462 |
1.544 |
0.082 |
CH3CCl3 |
Ethane, 1,1,1-trichloro- |
rCCl |
1.767 |
1.849 |
0.082 |
GaCl |
Gallium monochloride |
rClGa |
2.202 |
2.284 |
0.082 |
GaCl |
Gallium monochloride |
rClGa |
2.202 |
2.284 |
0.082 |
O2 |
Oxygen diatomic |
rOO |
1.208 |
1.289 |
0.082 |
O2 |
Oxygen diatomic |
rOO |
1.208 |
1.289 |
0.082 |
O2 |
Oxygen diatomic |
rOO |
1.208 |
1.289 |
0.082 |
CBrCl3 |
Methane, bromotrichloro- |
rCCl |
1.765 |
1.847 |
0.082 |
CH3CH(CH3)ONO |
Isopropyl nitrite |
rON |
1.414 |
1.496 |
0.082 |
CFCl3 |
Trichloromonofluoromethane |
rCCl |
1.764 |
1.845 |
0.081 |
HO2 |
Hydroperoxy radical |
rOO |
1.331 |
1.411 |
0.081 |
CaOH |
Calcium monohydroxide |
rOCa |
1.976 |
2.057 |
0.081 |
C3H6S |
Thietane |
rCS |
1.847 |
1.928 |
0.081 |
HO2 |
Hydroperoxy radical |
rOO |
1.331 |
1.411 |
0.081 |
C6H4Cl2 |
1,4-dichlorobenzene |
rCCl |
1.729 |
1.809 |
0.080 |
BBr |
Boron monobromide |
rBBr |
1.888 |
1.968 |
0.080 |
CH2SHCH2SH |
1,2-Ethanedithiol |
rCS |
1.819 |
1.899 |
0.080 |
CH2ClCHCl2 |
1,1,2-trichloroethane |
rCC |
1.580 |
1.500 |
-0.080 |
PF3 |
Phosphorus trifluoride |
rFP |
1.561 |
1.641 |
0.080 |
GaO |
Gallium monoxide |
rOGa |
1.743 |
1.663 |
-0.080 |
FSSF |
Difluorodisulfane |
rFS |
1.635 |
1.714 |
0.079 |
CH3CH2SH |
ethanethiol |
rCS |
1.820 |
1.899 |
0.079 |
CH3CH2SH |
ethanethiol |
rCS |
1.820 |
1.899 |
0.079 |
CH3SCH3 |
Dimethyl sulfide |
rCS |
1.802 |
1.881 |
0.079 |
SiC2 |
Silicon dicarbide |
rCSi |
1.836 |
1.915 |
0.079 |
GaO |
Gallium monoxide |
rOGa |
1.743 |
1.664 |
-0.079 |
CH3SCH3 |
Dimethyl sulfide |
rCS |
1.802 |
1.881 |
0.079 |
PF2 |
Phosphorus difluoride |
rPF |
1.579 |
1.658 |
0.079 |
C2 |
Carbon diatomic |
rCC |
1.243 |
1.321 |
0.079 |
C2 |
Carbon diatomic |
rCC |
1.243 |
1.321 |
0.079 |
C5H6S |
Thiophene, 3-methyl- |
rCS |
1.714 |
1.793 |
0.079 |
CH2FI |
fluoroiodomethane |
rCI |
2.140 |
2.218 |
0.079 |
CH3SCH2CH3 |
Ethane, (methylthio)- |
rCS |
1.804 |
1.883 |
0.079 |
SiSe |
Silicon Monoselenide |
rSiSe |
2.058 |
2.137 |
0.079 |
SiF+ |
silicon monofluoride cation |
rFSi |
1.527 |
1.605 |
0.079 |
SiF+ |
silicon monofluoride cation |
rFSi |
1.527 |
1.605 |
0.079 |
GeCl2 |
Germanium dichloride |
rClGe |
2.186 |
2.264 |
0.078 |
Na2 |
Sodium diatomic |
rNaNa |
3.079 |
3.157 |
0.078 |
C3H7SH |
1-Propanethiol |
rCS |
1.820 |
1.898 |
0.078 |
CH2ClCHCHCH3 |
2-Butene, 1-chloro- |
rCCl |
1.807 |
1.885 |
0.078 |
NH2SH |
Thiohydroxylamine |
rNS |
1.719 |
1.797 |
0.078 |
NH2SH |
Thiohydroxylamine |
rNS |
1.719 |
1.797 |
0.078 |
NaOH |
sodium hydroxide |
rNaO |
1.950 |
1.872 |
-0.078 |
NH2SH |
Thiohydroxylamine |
rNS |
1.719 |
1.797 |
0.078 |
NH2SH |
Thiohydroxylamine |
rNS |
1.719 |
1.797 |
0.078 |
C4H4S |
Thiophene |
rCS |
1.714 |
1.792 |
0.078 |
CH3S |
thiomethoxy |
rCS |
1.791 |
1.868 |
0.077 |
CHClCHCl |
Ethene, 1,2-dichloro-, (Z)- |
rCCl |
1.717 |
1.794 |
0.077 |
NF3 |
Nitrogen trifluoride |
rNF |
1.365 |
1.442 |
0.077 |
TeO |
Tellurium monoxide |
rOTe |
1.825 |
1.902 |
0.077 |
NO- |
nitric oxide anion |
rNO |
1.258 |
1.335 |
0.077 |
NO- |
nitric oxide anion |
rNO |
1.258 |
1.335 |
0.077 |
NF3 |
Nitrogen trifluoride |
rNF |
1.365 |
1.442 |
0.077 |
GeS |
Germanium monosulfide |
rSGe |
2.012 |
2.089 |
0.077 |
NO- |
nitric oxide anion |
rNO |
1.258 |
1.335 |
0.077 |
PF |
phosphorus monofluoride |
rFP |
1.593 |
1.669 |
0.077 |
HCCl |
Chloromethylene |
rCCl |
1.696 |
1.772 |
0.076 |
PF5 |
Phosphorus pentafluoride |
rPF |
1.534 |
1.610 |
0.076 |
BCl |
boron monochloride |
rBCl |
1.719 |
1.796 |
0.076 |
PF5 |
Phosphorus pentafluoride |
rPF |
1.534 |
1.610 |
0.076 |
CH3SSCH3 |
Disulfide, dimethyl |
rCS |
1.810 |
1.886 |
0.076 |
CHClCCl2 |
Trichloroethylene |
rCCl |
1.714 |
1.790 |
0.076 |
CH3CCl2CH3 |
Propane, 2,2-dichloro- |
rCCl |
1.799 |
1.875 |
0.076 |
PF |
phosphorus monofluoride |
rFP |
1.593 |
1.668 |
0.075 |
CH3CH2SH |
ethanethiol |
rCS |
1.820 |
1.895 |
0.075 |
CH3CCl2CH3 |
Propane, 2,2-dichloro- |
rCCl |
1.799 |
1.874 |
0.075 |
CHCl3 |
Chloroform |
rCCl |
1.762 |
1.837 |
0.075 |
C5H10S |
2H-Thiopyran, tetrahydro- |
rCS |
1.811 |
1.886 |
0.075 |
ClNO |
Nitrosyl chloride |
rNCl |
1.975 |
2.050 |
0.075 |
CHCl3 |
Chloroform |
rCCl |
1.762 |
1.837 |
0.075 |
O3 |
Ozone |
rOO |
1.278 |
1.353 |
0.075 |
NS |
Mononitrogen monosulfide |
rNS |
1.497 |
1.572 |
0.075 |
CH3OCl |
methyl hypochlorite |
rCO |
1.389 |
1.464 |
0.075 |
C2H2N2O |
Furazan |
rNO |
1.373 |
1.448 |
0.075 |
O3 |
Ozone |
rOO |
1.278 |
1.353 |
0.075 |
KOH |
Potassium hydroxide |
rOH |
0.912 |
0.987 |
0.075 |
LiCl |
lithium chloride |
rLiCl |
2.021 |
2.095 |
0.075 |
LiCl |
lithium chloride |
rLiCl |
2.021 |
2.095 |
0.075 |
AlC |
Aluminum carbide |
rCAl |
1.955 |
2.030 |
0.075 |
LiS |
Lithium monosulfide |
rLiS |
2.150 |
2.224 |
0.074 |
ClNO |
Nitrosyl chloride |
rNCl |
1.975 |
2.049 |
0.074 |
C3H6S3 |
1,3,5-Trithiane |
rCS |
1.801 |
1.875 |
0.074 |
C6H4Cl2 |
1,3-dichlorobenzene |
rCCl |
1.736 |
1.809 |
0.074 |
Na2 |
Sodium diatomic |
rNaNa |
3.079 |
3.152 |
0.073 |
Si2H2 |
disilyne |
rSiH |
1.668 |
1.741 |
0.073 |
SF4 |
Sulfur tetrafluoride |
rSF |
1.646 |
1.719 |
0.073 |
SF4 |
Sulfur tetrafluoride |
rSF |
1.646 |
1.719 |
0.073 |
FNO3 |
Fluorine nitrate |
rNO |
1.507 |
1.580 |
0.073 |
IF |
Iodine monofluoride |
rFI |
1.910 |
1.983 |
0.073 |
CHClCCl2 |
Trichloroethylene |
rCCl |
1.720 |
1.792 |
0.072 |
CH3SH |
Methanethiol |
rCS |
1.818 |
1.890 |
0.072 |
CH3SH |
Methanethiol |
rCS |
1.818 |
1.890 |
0.072 |
BH3PH3 |
borane phosphine |
rBP |
1.937 |
2.009 |
0.072 |
CH3SH |
Methanethiol |
rCS |
1.818 |
1.890 |
0.072 |
CH3NO3 |
Methyl nitrate |
rNO |
1.402 |
1.473 |
0.071 |
GaF |
Gallium monofluoride |
rFGa |
1.774 |
1.703 |
-0.071 |
LiI |
Lithium Iodide |
rLiI |
2.392 |
2.463 |
0.071 |
GaF |
Gallium monofluoride |
rFGa |
1.774 |
1.704 |
-0.071 |
NF |
nitrogen fluoride |
rNF |
1.317 |
1.388 |
0.071 |
NF |
nitrogen fluoride |
rNF |
1.317 |
1.388 |
0.071 |
C4H8O2 |
Ethyl acetate |
rCO |
1.448 |
1.518 |
0.070 |
BeCl2 |
Beryllium chloride |
rBeCl |
1.750 |
1.820 |
0.070 |
CH2ClCHO |
chloroacetaldehyde |
rCCl |
1.782 |
1.852 |
0.070 |
HOI |
Hypoiodous acid |
rOI |
1.994 |
2.064 |
0.070 |
C4H8S |
Thiophene, tetrahydro- |
rCS |
1.835 |
1.905 |
0.070 |
KF |
Potassium Fluoride |
rKF |
2.171 |
2.241 |
0.070 |
P2 |
Phosphorus diatomic |
rPP |
1.893 |
1.963 |
0.069 |
P2 |
Phosphorus diatomic |
rPP |
1.893 |
1.963 |
0.069 |
SiF3 |
Silicon trifluoride radical |
rFSi |
1.565 |
1.634 |
0.069 |
GeBr4 |
Germanium tetrabromide |
rGeBr |
2.272 |
2.341 |
0.069 |
AlP |
Aluminum monophosphide |
rAlP |
2.220 |
2.289 |
0.069 |
AlP |
Aluminum monophosphide |
rAlP |
2.220 |
2.289 |
0.069 |
AlP |
Aluminum monophosphide |
rAlP |
2.220 |
2.289 |
0.069 |
AlP |
Aluminum monophosphide |
rAlP |
2.220 |
2.289 |
0.069 |
AlP |
Aluminum monophosphide |
rAlP |
2.220 |
2.289 |
0.069 |
AlP |
Aluminum monophosphide |
rAlP |
2.220 |
2.289 |
0.069 |
GeSe |
Germanium monoselenide |
rGeSe |
2.135 |
2.204 |
0.069 |
AlN |
Aluminum nitride |
rNAl |
1.786 |
1.718 |
-0.068 |
CCl4 |
Carbon tetrachloride |
rCCl |
1.767 |
1.835 |
0.068 |
CCl4 |
Carbon tetrachloride |
rCCl |
1.767 |
1.835 |
0.068 |
O2+ |
diatomic oxygen cation |
rOO |
1.116 |
1.184 |
0.068 |
O2+ |
diatomic oxygen cation |
rOO |
1.116 |
1.184 |
0.068 |
GaP |
Gallium monophosphide |
rPGa |
2.240 |
2.307 |
0.067 |
GaP |
Gallium monophosphide |
rPGa |
2.240 |
2.307 |
0.067 |
GaP |
Gallium monophosphide |
rPGa |
2.240 |
2.307 |
0.067 |
GaP |
Gallium monophosphide |
rPGa |
2.240 |
2.307 |
0.067 |
C4H5NO |
Isoxazole, 5-methyl- |
rNO |
1.403 |
1.470 |
0.067 |
CH3ONO |
Methyl nitrite |
rNO |
1.398 |
1.465 |
0.067 |
FO |
Oxygen monofluoride |
rFO |
1.354 |
1.421 |
0.066 |
FO |
Oxygen monofluoride |
rFO |
1.354 |
1.421 |
0.066 |
CF2CCl2 |
difluorodichloroethylene |
rCCl |
1.706 |
1.772 |
0.066 |
C4H5NO |
3-Methylisoxazole |
rNO |
1.403 |
1.469 |
0.066 |
HPO |
Hydrogen phosphorus oxide |
rPO |
1.512 |
1.578 |
0.066 |
O2- |
oxygen diatomic anion |
rOO |
1.350 |
1.415 |
0.065 |
O2- |
oxygen diatomic anion |
rOO |
1.350 |
1.415 |
0.065 |
B2 |
Boron diatomic |
rBB |
1.590 |
1.655 |
0.065 |
BrF |
Bromine monofluoride |
rFBr |
1.759 |
1.824 |
0.065 |
BrF |
Bromine monofluoride |
rFBr |
1.759 |
1.824 |
0.065 |
MgS |
magnesium sulfide |
rMgS |
2.143 |
2.208 |
0.065 |
AlN |
Aluminum nitride |
rNAl |
1.786 |
1.851 |
0.065 |
AlN |
Aluminum nitride |
rNAl |
1.786 |
1.851 |
0.065 |
N2F2 |
(Z)-Difluorodiazene |
rNF |
1.384 |
1.449 |
0.065 |
HCCCl |
Chloroacetylene |
rCCl |
1.637 |
1.701 |
0.065 |
B2 |
Boron diatomic |
rBB |
1.590 |
1.655 |
0.065 |
F2+ |
flourine diatomic cation |
rFF |
1.322 |
1.386 |
0.064 |
F2+ |
flourine diatomic cation |
rFF |
1.322 |
1.386 |
0.064 |
C2H4O |
Ethylene oxide |
rCO |
1.425 |
1.489 |
0.064 |
C2H2+ |
acetylene cation |
rCC |
1.253 |
1.317 |
0.064 |
C2H4O |
Ethylene oxide |
rCO |
1.425 |
1.489 |
0.064 |
CHClCCl2 |
Trichloroethylene |
rCCl |
1.712 |
1.776 |
0.064 |
HNCS |
Isothiocyanic acid |
rCS |
1.567 |
1.630 |
0.064 |
SiH2F2 |
difluorosilane |
rSiF |
1.576 |
1.639 |
0.063 |
CH2O2 |
Dioxirane |
rCO |
1.388 |
1.451 |
0.063 |
B4H10 |
Tetraborane(10) |
rHB |
1.484 |
1.421 |
-0.063 |
MgCl2 |
Magnesium dichloride |
rMgCl |
2.180 |
2.243 |
0.063 |
HNO3 |
Nitric acid |
rNO |
1.406 |
1.469 |
0.063 |
GaBr |
Gallium monobromide |
rGaBr |
2.352 |
2.415 |
0.063 |
HNO3 |
Nitric acid |
rNO |
1.406 |
1.469 |
0.063 |
NeH+ |
neon hydrogen cation |
rNeH |
0.991 |
1.054 |
0.062 |
CH3SSH |
Hydrogen methyl disulfide |
rCS |
1.823 |
1.885 |
0.062 |
C2H5NO3 |
Nitric acid, ethyl ester |
rNO |
1.407 |
1.469 |
0.062 |
SiH3F |
monofluorosilane |
rSiF |
1.595 |
1.657 |
0.062 |
SiH3F |
monofluorosilane |
rSiF |
1.595 |
1.657 |
0.062 |
NS+ |
nitrogen sulfide cation |
rNS |
1.440 |
1.502 |
0.062 |
CHSNH2 |
thioformamide |
rCS |
1.626 |
1.688 |
0.062 |
CH3CHNOH |
Acetaldoxime |
rNO |
1.408 |
1.470 |
0.062 |
NSe |
Nitrogen monoselenide |
rNSe |
1.652 |
1.713 |
0.062 |
H2O3 |
Hydrogen trioxide |
rOO |
1.428 |
1.489 |
0.061 |
CH3CHNOH |
Acetaldoxime |
rNO |
1.408 |
1.469 |
0.061 |
SiO |
Silicon monoxide |
rSiO |
1.510 |
1.571 |
0.061 |
SiO |
Silicon monoxide |
rSiO |
1.510 |
1.571 |
0.061 |
ClCN |
chlorocyanogen |
rCCl |
1.629 |
1.690 |
0.061 |
CH2ClCCCl |
1,3-dichloropropyne |
rCCl |
1.638 |
1.698 |
0.061 |
SeO |
Selenium monoxide |
rSeO |
1.639 |
1.700 |
0.060 |
SeO |
Selenium monoxide |
rSeO |
1.639 |
1.699 |
0.060 |
SeO |
Selenium monoxide |
rSeO |
1.639 |
1.699 |
0.060 |
C2Cl4 |
Tetrachloroethylene |
rCCl |
1.718 |
1.778 |
0.060 |
SiHF3 |
trifluorosilane |
rSiF |
1.563 |
1.622 |
0.059 |
CI4 |
tetraiodomethane |
rCI |
2.157 |
2.216 |
0.059 |
C5H6 |
Propellane |
rCC |
1.596 |
1.655 |
0.059 |
HOBr |
Hypobromous acid |
rBrO |
1.834 |
1.893 |
0.059 |
HOBr |
Hypobromous acid |
rBrO |
1.834 |
1.893 |
0.059 |
B2 |
Boron diatomic |
rBB |
1.590 |
1.531 |
-0.059 |
B2 |
Boron diatomic |
rBB |
1.590 |
1.531 |
-0.059 |
BC |
boron monocarbide |
rBC |
1.491 |
1.432 |
-0.059 |
C6H5NH2 |
aniline |
rCN |
1.431 |
1.372 |
-0.059 |
SiF2 |
Silicon difluoride |
rFSi |
1.590 |
1.649 |
0.058 |
NF |
nitrogen fluoride |
rNF |
1.317 |
1.375 |
0.058 |
Si2H2 |
disilyne |
rSiSi |
2.215 |
2.157 |
-0.058 |
SiF2 |
Silicon difluoride |
rFSi |
1.590 |
1.648 |
0.058 |
SiF |
silicon monofluoride |
rSiF |
1.604 |
1.662 |
0.058 |
SiF |
silicon monofluoride |
rSiF |
1.604 |
1.662 |
0.058 |
HN3 |
hydrogen azide |
rNH |
0.975 |
1.033 |
0.058 |
HN3 |
hydrogen azide |
rNH |
0.975 |
1.033 |
0.058 |
C3H8O2 |
1,3-Propanediol |
rCO |
1.410 |
1.468 |
0.058 |
GaP |
Gallium monophosphide |
rPGa |
2.250 |
2.307 |
0.057 |
GaP |
Gallium monophosphide |
rPGa |
2.250 |
2.307 |
0.057 |
GaP |
Gallium monophosphide |
rPGa |
2.250 |
2.307 |
0.057 |
GaP |
Gallium monophosphide |
rPGa |
2.250 |
2.307 |
0.057 |
F2O |
Difluorine monoxide |
rFO |
1.405 |
1.462 |
0.057 |
NHF2 |
difluoramine |
rNF |
1.400 |
1.457 |
0.057 |
BrF3 |
Bromine trifluoride |
rFBr |
1.810 |
1.867 |
0.057 |
CH2N2 |
diazirine |
rCN |
1.482 |
1.538 |
0.056 |
C3H6O |
Propylene oxide |
rCO |
1.436 |
1.492 |
0.056 |
CH2NOH |
formaldoxime |
rNO |
1.408 |
1.464 |
0.056 |
Zn(CH3)2 |
dimethyl zinc |
rZnC |
1.930 |
1.875 |
-0.055 |
PN |
Phosphorus mononitride |
rPN |
1.491 |
1.546 |
0.055 |
PN |
Phosphorus mononitride |
rPN |
1.491 |
1.546 |
0.055 |
Zn(CH3)2 |
dimethyl zinc |
rZnC |
1.930 |
1.875 |
-0.055 |
C4F6 |
perfluorobutadiene |
rCC |
1.488 |
1.433 |
-0.055 |
LiBr |
Lithium Bromide |
rLiBr |
2.170 |
2.225 |
0.055 |
PF5 |
Phosphorus pentafluoride |
rFP |
1.577 |
1.631 |
0.054 |
CF3Br |
Bromotrifluoromethane |
rCBr |
1.923 |
1.978 |
0.054 |
CF3Br |
Bromotrifluoromethane |
rCBr |
1.923 |
1.978 |
0.054 |
C2H6N2O2 |
Dimethylnitroamine |
rNO |
1.223 |
1.277 |
0.054 |
CH3CHNOH |
Acetaldoxime |
rCC |
1.550 |
1.496 |
-0.054 |
PF5 |
Phosphorus pentafluoride |
rFP |
1.577 |
1.631 |
0.054 |
HNO2 |
Nitrous acid |
rNO |
1.442 |
1.496 |
0.054 |
LiBr |
Lithium Bromide |
rLiBr |
2.170 |
2.225 |
0.054 |
CH3CSNH2 |
Ethanethioamide |
rCS |
1.647 |
1.701 |
0.054 |
CH3CHNOH |
Acetaldoxime |
rCC |
1.550 |
1.497 |
-0.053 |
CF3OF |
Trifluoromethylhypofluorite |
rOF |
1.421 |
1.474 |
0.053 |
CF3OF |
Trifluoromethylhypofluorite |
rOF |
1.421 |
1.474 |
0.053 |
CH3PH2 |
Methyl phosphine |
rCP |
1.858 |
1.911 |
0.053 |
HPO |
Hydrogen phosphorus oxide |
rPH |
1.433 |
1.486 |
0.053 |
NaBr |
Sodium Bromide |
rNaBr |
2.502 |
2.555 |
0.053 |
CS |
carbon monosulfide |
rCS |
1.535 |
1.588 |
0.053 |
B4H10 |
Tetraborane(10) |
rHB |
1.315 |
1.262 |
-0.053 |
CF2 |
Difluoromethylene |
rCF |
1.297 |
1.350 |
0.052 |
NaF |
sodium fluoride |
rNaF |
1.926 |
1.874 |
-0.052 |
NaF |
sodium fluoride |
rNaF |
1.926 |
1.874 |
-0.052 |
SeO2 |
Selenium dioxide |
rSeO |
1.607 |
1.659 |
0.052 |
SeO2 |
Selenium dioxide |
rSeO |
1.607 |
1.659 |
0.052 |
HF+ |
hydrogen fluoride cation |
rHF |
1.014 |
1.066 |
0.052 |
HF+ |
hydrogen fluoride cation |
rHF |
1.014 |
1.066 |
0.052 |
CH3Br |
methyl bromide |
rCBr |
1.934 |
1.986 |
0.052 |
CH3Br |
methyl bromide |
rCBr |
1.934 |
1.986 |
0.052 |
C4H6 |
1-Methylcyclopropene |
rCC |
1.476 |
1.528 |
0.052 |
SiF4 |
Silicon tetrafluoride |
rSiF |
1.554 |
1.605 |
0.051 |
BHCl2 |
Borane, dichloro- |
rBH |
1.130 |
1.181 |
0.051 |
CH3I |
methyl iodide |
rCI |
2.136 |
2.187 |
0.051 |
CH3I |
methyl iodide |
rCI |
2.136 |
2.187 |
0.051 |
C3H5ClO |
Oxirane, (chloromethyl)- |
rCO |
1.442 |
1.493 |
0.051 |
C2H5I |
Ethyl iodide |
rCI |
2.151 |
2.202 |
0.051 |
BeCl |
beryllium monochloride |
rBeCl |
1.797 |
1.848 |
0.051 |
BeCl |
beryllium monochloride |
rBeCl |
1.797 |
1.848 |
0.051 |
CH3CHSHCH3 |
2-Propanethiol |
rCS |
1.849 |
1.900 |
0.051 |
C2Cl2 |
dichloroacetylene |
rCC |
1.246 |
1.195 |
-0.051 |
CH3CHS |
Thioacetaldehyde |
rCS |
1.610 |
1.660 |
0.050 |
CH3CHS |
Thioacetaldehyde |
rCS |
1.610 |
1.660 |
0.050 |
AlH |
aluminum monohydride |
rAlH |
1.648 |
1.698 |
0.050 |
C2H5NO3 |
Nitric acid, ethyl ester |
rCO |
1.430 |
1.480 |
0.050 |
CH3CH2SH |
ethanethiol |
rSH |
1.322 |
1.372 |
0.050 |
CH3CH2SH |
ethanethiol |
rSH |
1.322 |
1.372 |
0.050 |
CH3CH2SH |
ethanethiol |
rSH |
1.322 |
1.372 |
0.050 |
CH3CH2SH |
ethanethiol |
rSH |
1.322 |
1.372 |
0.050 |
707 molecules.