Species |
Name |
Bond type |
Bond Length (Å) |
Experimental |
Calculated |
Difference |
ClOF3 |
Chlorine trifluoride oxide |
rOCl |
1.405 |
9.691 |
8.286 |
IO |
Iodine monoxide |
rIO |
1.868 |
8.276 |
6.408 |
ClO |
Monochlorine monoxide |
rClO |
1.596 |
7.407 |
5.811 |
FO |
Oxygen monofluoride |
rFO |
1.354 |
6.544 |
5.190 |
FO |
Oxygen monofluoride |
rFO |
1.354 |
6.544 |
5.190 |
BrO |
Bromine monoxide |
rOBr |
1.718 |
6.258 |
4.540 |
Be2 |
Beryllium diatomic |
rBeBe |
2.460 |
6.931 |
4.471 |
BrO |
Bromine monoxide |
rOBr |
1.718 |
5.878 |
4.161 |
ClO |
Monochlorine monoxide |
rClO |
1.596 |
5.720 |
4.124 |
ClO |
Monochlorine monoxide |
rClO |
1.596 |
5.720 |
4.124 |
Mg2 |
Magnesium diatomic |
rMgMg |
3.891 |
7.000 |
3.109 |
Mg2 |
Magnesium diatomic |
rMgMg |
3.891 |
7.000 |
3.109 |
C4H6 |
1-Methylcyclopropene |
rCH |
1.085 |
4.193 |
3.108 |
C4H6 |
1-Methylcyclopropene |
rCH |
1.087 |
3.437 |
2.350 |
NBr |
nitrogen monobromide |
rNBr |
1.765 |
3.784 |
2.019 |
C5H6 |
1,3-Cyclopentadiene |
rCC |
1.340 |
3.320 |
1.980 |
NCl |
nitrogen monochloride |
rNCl |
1.611 |
3.440 |
1.829 |
NCl |
nitrogen monochloride |
rNCl |
1.611 |
3.440 |
1.829 |
ClFO3 |
Perchloryl fluoride |
rClO |
1.400 |
2.511 |
1.111 |
HClO4 |
perchloric acid |
rOCl |
1.414 |
2.498 |
1.084 |
S4 |
Sulfur tetramer |
rSS |
2.155 |
3.162 |
1.007 |
C2H4O3 |
trioxolane124 |
rCN |
1.303 |
2.257 |
0.954 |
HSSSH |
trisulfane |
rHS |
1.344 |
2.245 |
0.901 |
HSSSH |
trisulfane |
rHS |
1.344 |
2.245 |
0.901 |
HSSSH |
trisulfane |
rHS |
1.344 |
2.244 |
0.901 |
HSSSH |
trisulfane |
rHS |
1.344 |
2.244 |
0.901 |
HClO4 |
perchloric acid |
rOCl |
1.404 |
2.238 |
0.834 |
C4H6 |
1-Methylcyclopropene |
rCC |
1.476 |
2.269 |
0.793 |
Ar2 |
Argon diatomic |
rArAr |
3.758 |
4.551 |
0.793 |
CH3CH2SH |
ethanethiol |
rCH |
1.095 |
1.885 |
0.790 |
CH3CH2SH |
ethanethiol |
rCH |
1.095 |
1.885 |
0.790 |
CH3CH2SH |
ethanethiol |
rCH |
1.095 |
1.882 |
0.787 |
SCl |
sulfur monochloride |
rSCl |
1.975 |
2.694 |
0.719 |
SCl |
sulfur monochloride |
rSCl |
1.975 |
2.694 |
0.719 |
SCl |
sulfur monochloride |
rSCl |
1.975 |
2.694 |
0.719 |
C4H6 |
1-Methylcyclopropene |
rCH |
1.087 |
1.804 |
0.717 |
ONNO |
NO dimer |
rNN |
2.236 |
1.542 |
-0.694 |
C4H6 |
1-Methylcyclopropene |
rCH |
1.098 |
1.761 |
0.663 |
C4H6 |
1-Methylcyclopropene |
rCH |
1.098 |
1.750 |
0.652 |
Al2 |
Aluminum diatomic |
rAlAl |
2.701 |
3.260 |
0.558 |
Be2 |
Beryllium diatomic |
rBeBe |
2.460 |
1.905 |
-0.555 |
S4 |
Sulfur tetramer |
rSS |
2.155 |
2.653 |
0.498 |
CH3SO2NH2 |
methanesulfonamide |
rCN |
1.207 |
1.703 |
0.496 |
C4H4N2 |
Succinonitrile |
rCC |
1.561 |
1.081 |
-0.480 |
C4H6 |
1-Methylcyclopropene |
rCH |
1.070 |
1.529 |
0.459 |
C4H10O |
Methyl propyl ether |
rCC |
1.530 |
1.086 |
-0.444 |
CH3CH2SH |
ethanethiol |
rCH |
1.089 |
1.530 |
0.441 |
CH3CH2SH |
ethanethiol |
rCH |
1.089 |
1.530 |
0.441 |
CH3CH2SH |
ethanethiol |
rCH |
1.089 |
1.529 |
0.440 |
CH3CH2SH |
ethanethiol |
rCH |
1.092 |
1.530 |
0.438 |
CH3CH2SH |
ethanethiol |
rCH |
1.092 |
1.530 |
0.438 |
CH3CH2SH |
ethanethiol |
rCH |
1.092 |
1.529 |
0.437 |
C4H6 |
1-Methylcyclopropene |
rCC |
1.515 |
1.078 |
-0.437 |
C4H4N2 |
Succinonitrile |
rCH |
1.123 |
1.547 |
0.424 |
C2H4F2 |
1,2-difluoroethane |
rCH |
1.093 |
1.516 |
0.423 |
C2H4F2 |
1,2-difluoroethane |
rCH |
1.093 |
1.516 |
0.423 |
S4 |
Sulfur tetramer |
rSS |
1.898 |
2.314 |
0.416 |
C2H4F2 |
1,2-difluoroethane |
rCH |
1.093 |
1.507 |
0.414 |
C2H4F2 |
1,2-difluoroethane |
rCH |
1.093 |
1.507 |
0.414 |
C5H6 |
1,3-Cyclopentadiene |
rCC |
1.460 |
1.071 |
-0.389 |
Be2 |
Beryllium diatomic |
rBeBe |
2.460 |
2.071 |
-0.389 |
S3 |
Sulfur trimer |
rSS |
1.917 |
2.297 |
0.380 |
CH2CHCH2F |
Allyl Fluoride |
rHC |
1.130 |
1.501 |
0.371 |
CH2CHCH2F |
Allyl Fluoride |
rHC |
1.130 |
1.498 |
0.368 |
C3H3NO |
Isoxazole |
rCH |
1.075 |
1.441 |
0.366 |
BrO+ |
Bromine monoxide cation |
rOBr |
1.635 |
1.999 |
0.364 |
C4H4N2 |
Succinonitrile |
rCH |
1.111 |
1.471 |
0.360 |
CH3CH2SH |
ethanethiol |
rCC |
1.528 |
1.885 |
0.357 |
CH3CH2SH |
ethanethiol |
rCC |
1.528 |
1.885 |
0.357 |
Al2Cl6 |
Aluminum, di-μ-chlorotetrachlorodi- |
rAlCl |
2.040 |
2.394 |
0.354 |
CH3CH2SH |
ethanethiol |
rCC |
1.528 |
1.882 |
0.354 |
PS |
phosphorus sulfide |
rPS |
1.900 |
2.246 |
0.346 |
PS |
phosphorus sulfide |
rPS |
1.900 |
2.246 |
0.346 |
GaP |
Gallium monophosphide |
rPGa |
2.110 |
2.440 |
0.330 |
GaP |
Gallium monophosphide |
rPGa |
2.110 |
2.440 |
0.330 |
GaP |
Gallium monophosphide |
rPGa |
2.110 |
2.440 |
0.330 |
GaP |
Gallium monophosphide |
rPGa |
2.110 |
2.440 |
0.330 |
C4H10O |
Methyl propyl ether |
rCH |
1.099 |
1.429 |
0.330 |
FSSF |
Difluorodisulfane |
rSS |
1.890 |
2.197 |
0.307 |
CH3CH2SH |
ethanethiol |
rCS |
1.820 |
1.529 |
-0.291 |
K2 |
Potassium diatomic |
rKK |
3.905 |
4.195 |
0.290 |
CH3CH2SH |
ethanethiol |
rCS |
1.820 |
1.530 |
-0.290 |
CH3CH2SH |
ethanethiol |
rCS |
1.820 |
1.530 |
-0.290 |
ClSSCl |
Disulfur dichloride |
rSS |
1.931 |
2.209 |
0.278 |
C2H2+ |
acetylene cation |
rCH |
1.077 |
1.350 |
0.273 |
Ar2+ |
Argon diatomic cation |
rArAr |
2.320 |
2.586 |
0.266 |
OClO |
Chlorine dioxide |
rClO |
1.470 |
1.721 |
0.251 |
OClO |
Chlorine dioxide |
rClO |
1.470 |
1.721 |
0.251 |
OClO |
Chlorine dioxide |
rClO |
1.470 |
1.721 |
0.251 |
N2O3 |
Dinitrogen trioxide |
rNN |
1.864 |
1.614 |
-0.250 |
LiK |
Lithium Potassium |
rLiK |
3.270 |
3.517 |
0.247 |
NS |
Mononitrogen monosulfide |
rNS |
1.497 |
1.742 |
0.245 |
CH3SOCH3 |
Dimethyl sulfoxide |
rSO |
1.485 |
1.729 |
0.244 |
ClF3 |
Chlorine trifluoride |
rFCl |
1.597 |
1.835 |
0.238 |
ClF3 |
Chlorine trifluoride |
rFCl |
1.597 |
1.835 |
0.238 |
Si2H2 |
disilyne |
rSiSi |
2.215 |
1.979 |
-0.236 |
BH3PH3 |
borane phosphine |
rBP |
1.937 |
2.171 |
0.234 |
SF5Cl |
sulfur chloropentafluoride |
rSCl |
2.030 |
2.263 |
0.233 |
B2 |
Boron diatomic |
rBB |
1.590 |
1.359 |
-0.231 |
C4H6 |
1-Methylcyclopropene |
rCC |
1.300 |
1.531 |
0.231 |
GaAs |
Gallium arsenide |
rGaAs |
2.530 |
2.303 |
-0.227 |
GaAs |
Gallium arsenide |
rGaAs |
2.530 |
2.303 |
-0.227 |
C2H6O2S |
Dimethyl sulfone |
rSO |
1.431 |
1.653 |
0.222 |
C2H6O2S |
Dimethyl sulfone |
rSO |
1.431 |
1.653 |
0.222 |
PCl |
phosphorus chloride |
rPCl |
2.018 |
2.238 |
0.220 |
Si2H2 |
disilyne |
rSiH |
1.668 |
1.452 |
-0.216 |
SFCl |
Sulfur chloride fluoride |
rSCl |
1.994 |
2.209 |
0.215 |
GaP |
Gallium monophosphide |
rPGa |
2.450 |
2.238 |
-0.212 |
GaP |
Gallium monophosphide |
rPGa |
2.450 |
2.238 |
-0.212 |
GaP |
Gallium monophosphide |
rPGa |
2.450 |
2.238 |
-0.212 |
GaP |
Gallium monophosphide |
rPGa |
2.450 |
2.238 |
-0.212 |
KBr |
Potassium Bromide |
rKBr |
2.821 |
3.031 |
0.210 |
CH3SSH |
Hydrogen methyl disulfide |
rSS |
2.038 |
2.246 |
0.208 |
Al2 |
Aluminum diatomic |
rAlAl |
2.701 |
2.906 |
0.204 |
Al2 |
Aluminum diatomic |
rAlAl |
2.701 |
2.906 |
0.204 |
SCl2 |
Sulfur dichloride |
rSCl |
2.013 |
2.213 |
0.201 |
SCl2 |
Sulfur dichloride |
rSCl |
2.013 |
2.213 |
0.201 |
GaP |
Gallium monophosphide |
rPGa |
2.240 |
2.440 |
0.200 |
GaP |
Gallium monophosphide |
rPGa |
2.240 |
2.440 |
0.200 |
GaP |
Gallium monophosphide |
rPGa |
2.240 |
2.440 |
0.200 |
GaP |
Gallium monophosphide |
rPGa |
2.240 |
2.440 |
0.200 |
CH3SSCH3 |
Disulfide, dimethyl |
rSS |
2.038 |
2.238 |
0.200 |
OPCl |
Phosphorus oxychloride |
rPCl |
2.059 |
2.258 |
0.200 |
Cl2+ |
chlorine diatomic cation |
rClCl |
1.892 |
2.091 |
0.199 |
Cl2+ |
chlorine diatomic cation |
rClCl |
1.892 |
2.091 |
0.199 |
Cl2 |
Chlorine diatomic |
rClCl |
1.988 |
2.185 |
0.197 |
Cl2 |
Chlorine diatomic |
rClCl |
1.988 |
2.185 |
0.197 |
S4 |
Sulfur tetramer |
rSS |
1.898 |
2.094 |
0.196 |
H2S2 |
Disulfane |
rSS |
2.056 |
2.252 |
0.195 |
H2S2 |
Disulfane |
rSS |
2.056 |
2.252 |
0.195 |
C5H6 |
1,3-Cyclopentadiene |
rCC |
1.540 |
1.345 |
-0.195 |
AlI |
Aluminum monoiodide |
rAlI |
2.537 |
2.731 |
0.194 |
PO |
Phosphorus monoxide |
rPO |
1.476 |
1.670 |
0.194 |
PO |
Phosphorus monoxide |
rPO |
1.476 |
1.670 |
0.194 |
PO |
Phosphorus monoxide |
rPO |
1.476 |
1.670 |
0.194 |
AlP |
Aluminum monophosphide |
rAlP |
2.400 |
2.207 |
-0.193 |
AlP |
Aluminum monophosphide |
rAlP |
2.400 |
2.207 |
-0.193 |
AlP |
Aluminum monophosphide |
rAlP |
2.400 |
2.207 |
-0.193 |
Fe(CO)5 |
Iron pentacarbonyl |
rCFe |
1.824 |
2.017 |
0.193 |
PCl5 |
Phosphorus pentachloride |
rPCl |
2.124 |
2.317 |
0.193 |
HSSSH |
trisulfane |
rSS |
2.053 |
2.245 |
0.192 |
HSSSH |
trisulfane |
rSS |
2.053 |
2.245 |
0.192 |
HSSSH |
trisulfane |
rSS |
2.053 |
2.244 |
0.191 |
HSSSH |
trisulfane |
rSS |
2.053 |
2.244 |
0.191 |
HSSSH |
trisulfane |
rSS |
2.054 |
2.245 |
0.191 |
HSSSH |
trisulfane |
rSS |
2.054 |
2.245 |
0.191 |
HSSSH |
trisulfane |
rSS |
2.054 |
2.244 |
0.190 |
HSSSH |
trisulfane |
rSS |
2.054 |
2.244 |
0.190 |
GaP |
Gallium monophosphide |
rPGa |
2.250 |
2.440 |
0.190 |
GaP |
Gallium monophosphide |
rPGa |
2.250 |
2.440 |
0.190 |
GaP |
Gallium monophosphide |
rPGa |
2.250 |
2.440 |
0.190 |
GaP |
Gallium monophosphide |
rPGa |
2.250 |
2.440 |
0.190 |
SiBr |
Silicon monobromide |
rSiBr |
2.209 |
2.399 |
0.190 |
P4 |
Phosphorus tetramer |
rPP |
2.210 |
2.399 |
0.189 |
PCl |
phosphorus chloride |
rPCl |
2.018 |
2.206 |
0.189 |
SOCl2 |
thionyl chloride |
rSCl |
2.076 |
2.262 |
0.186 |
SOF4 |
Sulfur tetrafluoride oxide |
rSO |
1.409 |
1.591 |
0.182 |
Si2H2 |
disilyne |
rSiH |
1.668 |
1.487 |
-0.181 |
S8 |
Octasulfur |
rSS |
2.059 |
2.240 |
0.181 |
VO |
Vanadium monoxide |
rVO |
1.589 |
1.770 |
0.181 |
AlP |
Aluminum monophosphide |
rAlP |
2.220 |
2.398 |
0.178 |
AlP |
Aluminum monophosphide |
rAlP |
2.220 |
2.398 |
0.178 |
AlP |
Aluminum monophosphide |
rAlP |
2.220 |
2.398 |
0.178 |
AlP |
Aluminum monophosphide |
rAlP |
2.220 |
2.398 |
0.178 |
AlP |
Aluminum monophosphide |
rAlP |
2.220 |
2.398 |
0.178 |
AlP |
Aluminum monophosphide |
rAlP |
2.220 |
2.398 |
0.178 |
SiCl |
Clorosilylidyne |
rSiCl |
2.061 |
2.237 |
0.176 |
SiCl |
Clorosilylidyne |
rSiCl |
2.061 |
2.237 |
0.176 |
N2O4 |
Dinitrogen tetroxide |
rNN |
1.782 |
1.608 |
-0.174 |
N2O4 |
Dinitrogen tetroxide |
rNN |
1.782 |
1.608 |
-0.174 |
Cl3PO |
Phosphoryl chloride |
rPCl |
1.989 |
2.160 |
0.171 |
PCl5 |
Phosphorus pentachloride |
rPCl |
2.020 |
2.191 |
0.171 |
HSiCl |
Chlorosilylene |
rSiCl |
2.067 |
2.236 |
0.169 |
H2SO4 |
Sulfuric acid |
rSO |
1.422 |
1.590 |
0.168 |
NO3 |
Nitrogen trioxide |
rNO |
1.238 |
1.406 |
0.168 |
PCl3 |
Phosphorus trichloride |
rPCl |
2.043 |
2.211 |
0.168 |
ClSSCl |
Disulfur dichloride |
rSCl |
2.057 |
2.224 |
0.167 |
SSO |
Disulfur monoxide |
rSS |
1.884 |
2.050 |
0.165 |
SSO |
Disulfur monoxide |
rSS |
1.884 |
2.049 |
0.165 |
GeCl |
Germanium monochloride |
rClGe |
2.164 |
2.328 |
0.165 |
GeCl |
Germanium monochloride |
rClGe |
2.164 |
2.328 |
0.164 |
HSiBr |
monobromosilylene |
rSiBr |
2.237 |
2.401 |
0.164 |
CCl |
carbon monochloride |
rCCl |
1.649 |
1.811 |
0.162 |
CCl |
carbon monochloride |
rCCl |
1.649 |
1.811 |
0.162 |
SO2F2 |
Sulfuryl fluoride |
rOS |
1.405 |
1.566 |
0.161 |
CHF2CHF2 |
1,1,2,2-tetrafluoroethane |
rCF |
1.359 |
1.519 |
0.160 |
SO2Cl2 |
Sulfuryl chloride |
rSCl |
2.076 |
2.229 |
0.153 |
S3 |
Sulfur trimer |
rSS |
1.917 |
2.070 |
0.153 |
S3 |
Sulfur trimer |
rSS |
1.917 |
2.070 |
0.153 |
BrCl |
Bromine monochloride |
rClBr |
2.136 |
2.288 |
0.152 |
BrCl |
Bromine monochloride |
rClBr |
2.136 |
2.288 |
0.152 |
Cu2 |
Copper diatomic |
rCuCu |
2.220 |
2.371 |
0.151 |
NCl |
nitrogen monochloride |
rNCl |
1.611 |
1.760 |
0.149 |
ICl |
Iodine monochloride |
rClI |
2.321 |
2.468 |
0.147 |
AlBr |
Aluminum monobromide |
rAlBr |
2.295 |
2.442 |
0.147 |
KCl |
Potassium Chloride |
rKCl |
2.667 |
2.812 |
0.146 |
CuO |
Copper Monoxide |
rCuO |
1.724 |
1.869 |
0.145 |
PBr3 |
Phosphorus tribromide |
rPBr |
2.220 |
2.365 |
0.145 |
GaBr |
Gallium monobromide |
rGaBr |
2.352 |
2.496 |
0.144 |
SO2Cl2 |
Sulfuryl chloride |
rSO |
1.443 |
1.586 |
0.143 |
GaCl |
Gallium monochloride |
rClGa |
2.202 |
2.343 |
0.141 |
GaCl |
Gallium monochloride |
rClGa |
2.202 |
2.343 |
0.141 |
AlO |
Aluminum monoxide |
rAlO |
1.618 |
1.758 |
0.140 |
AlO |
Aluminum monoxide |
rAlO |
1.618 |
1.758 |
0.140 |
I2 |
Iodine diatomic |
rII |
2.665 |
2.805 |
0.140 |
I2 |
Iodine diatomic |
rII |
2.665 |
2.805 |
0.140 |
SiCl2 |
Dichlorosilylene |
rSiCl |
2.076 |
2.215 |
0.139 |
ClF3 |
Chlorine trifluoride |
rFCl |
1.697 |
1.835 |
0.139 |
ClF3 |
Chlorine trifluoride |
rFCl |
1.697 |
1.835 |
0.139 |
AlP |
Aluminum monophosphide |
rAlP |
2.260 |
2.398 |
0.138 |
AlP |
Aluminum monophosphide |
rAlP |
2.260 |
2.398 |
0.138 |
AlP |
Aluminum monophosphide |
rAlP |
2.260 |
2.398 |
0.138 |
AlP |
Aluminum monophosphide |
rAlP |
2.260 |
2.398 |
0.138 |
AlP |
Aluminum monophosphide |
rAlP |
2.260 |
2.398 |
0.138 |
AlP |
Aluminum monophosphide |
rAlP |
2.260 |
2.398 |
0.138 |
SiH3Cl |
chlorosilane |
rSiCl |
2.051 |
2.188 |
0.138 |
SiH3Cl |
chlorosilane |
rSiCl |
2.051 |
2.188 |
0.137 |
CaBr |
Calcium monobromide |
rCaBr |
2.594 |
2.730 |
0.136 |
ClF3 |
Chlorine trifluoride |
rFCl |
1.697 |
1.833 |
0.136 |
ClF3 |
Chlorine trifluoride |
rFCl |
1.697 |
1.833 |
0.136 |
CH3CCl(CH3)CH3 |
Propane, 2-chloro-2-methyl- |
rCCl |
1.803 |
1.939 |
0.135 |
CH3CHClCH2CH3 |
Butane, 2-chloro- |
rCCl |
1.781 |
1.914 |
0.133 |
SO3 |
Sulfur trioxide |
rSO |
1.418 |
1.551 |
0.133 |
SO3 |
Sulfur trioxide |
rSO |
1.418 |
1.551 |
0.133 |
Li2 |
Lithium diatomic |
rLiLi |
2.673 |
2.806 |
0.133 |
CBr |
Carbon monobromide |
rCBr |
1.821 |
1.954 |
0.133 |
Li2 |
Lithium diatomic |
rLiLi |
2.673 |
2.806 |
0.133 |
B2 |
Boron diatomic |
rBB |
1.590 |
1.722 |
0.132 |
CuCl |
Copper monochloride |
rCuCl |
2.051 |
2.183 |
0.132 |
N2 |
Nitrogen diatomic |
rNN |
1.098 |
1.229 |
0.131 |
N2 |
Nitrogen diatomic |
rNN |
1.098 |
1.229 |
0.131 |
SeCl2 |
Selenium Dichloride |
rClSe |
2.157 |
2.288 |
0.131 |
HCCl |
Chloromethylene |
rCCl |
1.696 |
1.827 |
0.130 |
S2 |
Sulfur diatomic |
rSS |
1.889 |
2.020 |
0.130 |
AlCl |
Aluminum monochloride |
rAlCl |
2.130 |
2.260 |
0.130 |
SiH3Br |
bromosilane |
rSiBr |
2.210 |
2.339 |
0.129 |
CO |
Carbon monoxide |
rCO |
1.128 |
1.257 |
0.129 |
GaP |
Gallium monophosphide |
rPGa |
2.110 |
2.238 |
0.128 |
GaP |
Gallium monophosphide |
rPGa |
2.110 |
2.238 |
0.128 |
GaP |
Gallium monophosphide |
rPGa |
2.110 |
2.238 |
0.128 |
GaP |
Gallium monophosphide |
rPGa |
2.110 |
2.238 |
0.128 |
S2 |
Sulfur diatomic |
rSS |
1.889 |
2.017 |
0.128 |
S2 |
Sulfur diatomic |
rSS |
1.889 |
2.017 |
0.128 |
SiH2Cl2 |
dichlorosilane |
rSiCl |
2.033 |
2.161 |
0.128 |
SiH2Cl2 |
dichlorosilane |
rSiCl |
2.033 |
2.161 |
0.128 |
ClF5 |
chlorinepentafluoride |
rFCl |
1.650 |
1.778 |
0.128 |
IBr |
Iodine monobromide |
rBrI |
2.469 |
2.595 |
0.126 |
SO2F2 |
Sulfuryl fluoride |
rFS |
1.530 |
1.655 |
0.125 |
F2SO |
Thionyl Fluoride |
rOS |
1.413 |
1.537 |
0.124 |
SiCl3CH3 |
methyltrichlorosilane |
rSiCl |
2.026 |
2.149 |
0.123 |
P2H4 |
Diphosphine |
rPP |
2.219 |
2.342 |
0.123 |
HClO4 |
perchloric acid |
rOCl |
1.641 |
1.764 |
0.123 |
SOF4 |
Sulfur tetrafluoride oxide |
rFS |
1.539 |
1.661 |
0.122 |
CFCl |
chlorofluoromethylene |
rCCl |
1.714 |
1.836 |
0.122 |
ClOF3 |
Chlorine trifluoride oxide |
rFCl |
1.713 |
1.834 |
0.121 |
CaCl |
calcium monochloride |
rClCa |
2.437 |
2.557 |
0.121 |
S4 |
Sulfur tetramer |
rSS |
1.898 |
2.019 |
0.121 |
BCl |
boron monochloride |
rBCl |
1.719 |
1.840 |
0.121 |
AlS |
Aluminum sulfide |
rAlS |
2.029 |
2.149 |
0.120 |
AlS |
Aluminum sulfide |
rAlS |
2.029 |
2.149 |
0.120 |
SiHCl3 |
Trichlorosilane |
rSiCl |
2.020 |
2.140 |
0.120 |
C3H5Cl3 |
Propane, 1,2,3-trichloro- |
rCCl |
1.790 |
1.910 |
0.120 |
SOCl2 |
thionyl chloride |
rSO |
1.443 |
1.562 |
0.119 |
NaLi |
lithium sodium |
rLiNa |
2.889 |
3.007 |
0.118 |
NaLi |
lithium sodium |
rLiNa |
2.889 |
3.007 |
0.118 |
BrF5 |
bromine pentafluoride |
rFBr |
1.689 |
1.807 |
0.118 |
Br2 |
Bromine diatomic |
rBrBr |
2.281 |
2.399 |
0.118 |
Br2 |
Bromine diatomic |
rBrBr |
2.281 |
2.399 |
0.118 |
SF5Cl |
sulfur chloropentafluoride |
rFS |
1.576 |
1.693 |
0.117 |
GeCl2 |
Germanium dichloride |
rClGe |
2.186 |
2.302 |
0.116 |
SiI4 |
silicon tetraiodide |
rSiI |
2.432 |
2.547 |
0.115 |
Si2 |
Silicon diatomic |
rSiSi |
2.246 |
2.132 |
-0.114 |
SF6 |
Sulfur Hexafluoride |
rSF |
1.561 |
1.675 |
0.114 |
SF6 |
Sulfur Hexafluoride |
rSF |
1.561 |
1.675 |
0.114 |
KF |
Potassium Fluoride |
rKF |
2.171 |
2.285 |
0.114 |
SiBr+ |
Silicon monobromide cation |
rSiBr |
2.095 |
2.209 |
0.113 |
CH3CHClCH3 |
Propane, 2-chloro- |
rCCl |
1.798 |
1.911 |
0.113 |
CH3CHClCH3 |
Propane, 2-chloro- |
rCCl |
1.798 |
1.911 |
0.113 |
SF4 |
Sulfur tetrafluoride |
rSF |
1.646 |
1.759 |
0.113 |
SF4 |
Sulfur tetrafluoride |
rSF |
1.646 |
1.759 |
0.113 |
N2 |
Nitrogen diatomic |
rNN |
1.213 |
1.100 |
-0.113 |
N2 |
Nitrogen diatomic |
rNN |
1.213 |
1.100 |
-0.113 |
N2 |
Nitrogen diatomic |
rNN |
1.213 |
1.100 |
-0.113 |
N2 |
Nitrogen diatomic |
rNN |
1.213 |
1.100 |
-0.113 |
N2 |
Nitrogen diatomic |
rNN |
1.213 |
1.100 |
-0.113 |
N2 |
Nitrogen diatomic |
rNN |
1.213 |
1.100 |
-0.113 |
N2 |
Nitrogen diatomic |
rNN |
1.213 |
1.100 |
-0.113 |
N2 |
Nitrogen diatomic |
rNN |
1.213 |
1.100 |
-0.113 |
CP |
Carbon monophosphide |
rCP |
1.562 |
1.673 |
0.111 |
SOF4 |
Sulfur tetrafluoride oxide |
rFS |
1.596 |
1.706 |
0.110 |
Na2 |
Sodium diatomic |
rNaNa |
3.079 |
3.189 |
0.110 |
ClFO3 |
Perchloryl fluoride |
rFCl |
1.598 |
1.706 |
0.108 |
GaO |
Gallium monoxide |
rOGa |
1.743 |
1.851 |
0.108 |
GaO |
Gallium monoxide |
rOGa |
1.743 |
1.851 |
0.108 |
SiCl4 |
Silane, tetrachloro- |
rSiCl |
2.019 |
2.127 |
0.108 |
CCl2 |
dichloromethylene |
rCCl |
1.711 |
1.819 |
0.108 |
PF |
phosphorus monofluoride |
rFP |
1.593 |
1.700 |
0.107 |
PF+ |
phosphorus monofluoride cation |
rFP |
1.500 |
1.607 |
0.107 |
AsCl3 |
Arsenous trichloride |
rClAs |
2.166 |
2.272 |
0.106 |
CH2Cl |
chloromethyl radical |
rCCl |
1.691 |
1.797 |
0.106 |
CH2Cl |
chloromethyl radical |
rCCl |
1.691 |
1.797 |
0.106 |
CH2Cl |
chloromethyl radical |
rCCl |
1.691 |
1.797 |
0.106 |
CH2Cl |
chloromethyl radical |
rCCl |
1.691 |
1.797 |
0.106 |
CH2ClCH2CH2CH3 |
Butane, 1-chloro- |
rCCl |
1.780 |
1.886 |
0.106 |
AlN |
Aluminum nitride |
rNAl |
1.786 |
1.892 |
0.105 |
AlN |
Aluminum nitride |
rNAl |
1.786 |
1.892 |
0.105 |
ClF3 |
Chlorine trifluoride |
rFCl |
1.597 |
1.702 |
0.105 |
ClF3 |
Chlorine trifluoride |
rFCl |
1.597 |
1.702 |
0.105 |
NaI |
Sodium Iodide |
rNaI |
2.711 |
2.816 |
0.105 |
SiBr4 |
Silicon tetrabromide |
rSiBr |
2.183 |
2.288 |
0.105 |
SF4 |
Sulfur tetrafluoride |
rSF |
1.545 |
1.650 |
0.105 |
SF4 |
Sulfur tetrafluoride |
rSF |
1.545 |
1.650 |
0.105 |
LiI |
Lithium Iodide |
rLiI |
2.392 |
2.496 |
0.104 |
KH |
Potassium hydride |
rKH |
2.243 |
2.346 |
0.104 |
KH |
Potassium hydride |
rKH |
2.243 |
2.346 |
0.104 |
CH3OCl |
methyl hypochlorite |
rOCl |
1.674 |
1.777 |
0.103 |
SiC |
silicon monocarbide |
rCSi |
1.722 |
1.825 |
0.103 |
CH2CHCHClCH3 |
1-Butene, 3-chloro- |
rCCl |
1.813 |
1.916 |
0.103 |
LiBr |
Lithium Bromide |
rLiBr |
2.170 |
2.273 |
0.103 |
SSO |
Disulfur monoxide |
rSO |
1.456 |
1.559 |
0.103 |
LiBr |
Lithium Bromide |
rLiBr |
2.170 |
2.273 |
0.103 |
SF |
Monosulfur monofluoride |
rSF |
1.599 |
1.702 |
0.103 |
SF |
Monosulfur monofluoride |
rSF |
1.599 |
1.702 |
0.103 |
SSO |
Disulfur monoxide |
rSO |
1.456 |
1.559 |
0.103 |
CH2Cl |
chloromethyl radical |
rCCl |
1.691 |
1.793 |
0.102 |
CH2Cl |
chloromethyl radical |
rCCl |
1.691 |
1.793 |
0.102 |
SO2 |
Sulfur dioxide |
rSO |
1.432 |
1.534 |
0.102 |
SO2 |
Sulfur dioxide |
rSO |
1.432 |
1.534 |
0.102 |
F2SO |
Thionyl Fluoride |
rFS |
1.585 |
1.687 |
0.102 |
PF |
phosphorus monofluoride |
rFP |
1.593 |
1.694 |
0.101 |
SF2 |
sulfur difluoride |
rSF |
1.587 |
1.688 |
0.100 |
SF2 |
sulfur difluoride |
rSF |
1.587 |
1.688 |
0.100 |
ClOF3 |
Chlorine trifluoride oxide |
rFCl |
1.603 |
1.702 |
0.099 |
MgCl |
magnesium monochloride |
rMgCl |
2.199 |
2.298 |
0.099 |
BBr |
Boron monobromide |
rBBr |
1.888 |
1.987 |
0.099 |
PO2 |
Phosphorus dioxide |
rPO |
1.467 |
1.566 |
0.099 |
PF2 |
Phosphorus difluoride |
rPF |
1.579 |
1.678 |
0.099 |
FSN |
Thiazyl fluoride |
rFS |
1.643 |
1.741 |
0.098 |
CH3CH2Cl |
Ethyl chloride |
rCCl |
1.789 |
1.886 |
0.098 |
Al2Cl6 |
Aluminum, di-μ-chlorotetrachlorodi- |
rAlCl |
2.240 |
2.143 |
-0.097 |
SiF |
silicon monofluoride |
rSiF |
1.604 |
1.700 |
0.096 |
SiF |
silicon monofluoride |
rSiF |
1.604 |
1.700 |
0.096 |
PF3 |
Phosphorus trifluoride |
rFP |
1.561 |
1.657 |
0.096 |
F3PO |
Phosphoryl fluoride |
rFP |
1.524 |
1.619 |
0.095 |
LiS |
Lithium monosulfide |
rLiS |
2.150 |
2.245 |
0.095 |
CH2ClCCCl |
1,3-dichloropropyne |
rCCl |
1.779 |
1.873 |
0.095 |
NaBr |
Sodium Bromide |
rNaBr |
2.502 |
2.596 |
0.094 |
CH2ClCHCHCH3 |
2-Butene, 1-chloro- |
rCCl |
1.807 |
1.901 |
0.094 |
NaK |
Sodium Potassium |
rNaK |
3.589 |
3.683 |
0.094 |
FSN |
Thiazyl fluoride |
rNS |
1.448 |
1.542 |
0.094 |
Si2H2 |
disilyne |
rSiSi |
2.215 |
2.309 |
0.094 |
Si2H2 |
disilyne |
rSiSi |
2.215 |
2.122 |
-0.093 |
CH2ClCH2CH3 |
Propane, 1-chloro- |
rCCl |
1.796 |
1.889 |
0.093 |
CH2ClCH2CH3 |
Propane, 1-chloro- |
rCCl |
1.796 |
1.889 |
0.093 |
CH2ClCH2CH3 |
Propane, 1-chloro- |
rCCl |
1.796 |
1.889 |
0.093 |
CH2ClCH2CH3 |
Propane, 1-chloro- |
rCCl |
1.796 |
1.889 |
0.093 |
CH2CHCH2CH2Cl |
1-Butene, 4-chloro- |
rCCl |
1.794 |
1.887 |
0.093 |
SeS |
Selenium monosulfide |
rSSe |
2.037 |
2.129 |
0.092 |
SFCl |
Sulfur chloride fluoride |
rFS |
1.606 |
1.698 |
0.092 |
PF5 |
Phosphorus pentafluoride |
rPF |
1.534 |
1.625 |
0.091 |
PF5 |
Phosphorus pentafluoride |
rPF |
1.534 |
1.625 |
0.091 |
F3PO |
Phosphoryl fluoride |
rPO |
1.436 |
1.527 |
0.091 |
C2H4S |
Thiirane |
rCS |
1.815 |
1.906 |
0.091 |
C2H4S |
Thiirane |
rCS |
1.815 |
1.906 |
0.091 |
NS |
Mononitrogen monosulfide |
rNS |
1.497 |
1.588 |
0.091 |
S2+ |
sulfur diatomic cation |
rSS |
1.825 |
1.916 |
0.091 |
B2 |
Boron diatomic |
rBB |
1.590 |
1.680 |
0.090 |
B2 |
Boron diatomic |
rBB |
1.590 |
1.680 |
0.090 |
SiF+ |
silicon monofluoride cation |
rFSi |
1.527 |
1.616 |
0.090 |
SiF+ |
silicon monofluoride cation |
rFSi |
1.527 |
1.616 |
0.090 |
CH2ClCH2CH3 |
Propane, 1-chloro- |
rCCl |
1.796 |
1.886 |
0.090 |
CH2ClCH2CH3 |
Propane, 1-chloro- |
rCCl |
1.796 |
1.886 |
0.090 |
CH2ClCH2CH3 |
Propane, 1-chloro- |
rCCl |
1.796 |
1.886 |
0.090 |
CH2ClCH2CH3 |
Propane, 1-chloro- |
rCCl |
1.796 |
1.886 |
0.090 |
SiH3F |
monofluorosilane |
rSiF |
1.595 |
1.684 |
0.090 |
SiH3F |
monofluorosilane |
rSiF |
1.595 |
1.684 |
0.090 |
H2SO4 |
Sulfuric acid |
rSO |
1.574 |
1.663 |
0.089 |
Cl3PO |
Phosphoryl chloride |
rPO |
1.455 |
1.544 |
0.089 |
SiF2 |
Silicon difluoride |
rFSi |
1.590 |
1.678 |
0.088 |
SiF2 |
Silicon difluoride |
rFSi |
1.590 |
1.678 |
0.088 |
CH2ClCHClCH3 |
Propane, 1,2-dichloro- |
rCCl |
1.793 |
1.881 |
0.088 |
CH2ClCH2Cl |
Ethane, 1,2-dichloro- |
rCCl |
1.790 |
1.877 |
0.087 |
CH2ClCH2Cl |
Ethane, 1,2-dichloro- |
rCCl |
1.790 |
1.877 |
0.087 |
SbCl3 |
Antimony Trichloride |
rSbCl |
2.333 |
2.420 |
0.087 |
LiCl |
lithium chloride |
rLiCl |
2.021 |
2.108 |
0.087 |
LiCl |
lithium chloride |
rLiCl |
2.021 |
2.108 |
0.087 |
SiH2F2 |
difluorosilane |
rSiF |
1.576 |
1.663 |
0.087 |
BeCl2 |
Beryllium chloride |
rBeCl |
1.750 |
1.836 |
0.086 |
SiF3 |
Silicon trifluoride radical |
rFSi |
1.565 |
1.651 |
0.086 |
CH3CHCl2 |
Ethane, 1,1-dichloro- |
rCCl |
1.766 |
1.852 |
0.086 |
TiCl |
Titanium Monochloride |
rClTi |
2.265 |
2.350 |
0.086 |
C2Cl2 |
dichloroacetylene |
rCCl |
1.612 |
1.697 |
0.085 |
C3H5Cl |
1-chloro-1-propene(E) |
rCCl |
1.728 |
1.813 |
0.085 |
AlCl3 |
Aluminum trichloride |
rAlCl |
2.060 |
2.145 |
0.085 |
C6H5Cl |
chlorobenzene |
rCCl |
1.725 |
1.810 |
0.085 |
CH2ClCHCl2 |
1,1,2-trichloroethane |
rCCl |
1.776 |
1.860 |
0.084 |
CH2BrCl |
Methane, bromochloro- |
rCCl |
1.755 |
1.839 |
0.084 |
CH2ClCHO |
chloroacetaldehyde |
rCCl |
1.782 |
1.865 |
0.083 |
As4 |
Arsenic tetramer |
rAsAs |
2.435 |
2.518 |
0.083 |
HOSH |
hydrogen thioperoxide |
rSO |
1.662 |
1.744 |
0.083 |
C2H3Cl |
Ethene, chloro- |
rCCl |
1.726 |
1.807 |
0.081 |
S2N2 |
Disulfur dinitride |
rNS |
1.642 |
1.723 |
0.081 |
SO |
Sulfur monoxide |
rSO |
1.481 |
1.562 |
0.081 |
SO |
Sulfur monoxide |
rSO |
1.481 |
1.562 |
0.081 |
C2 |
Carbon diatomic |
rCC |
1.243 |
1.324 |
0.081 |
C2 |
Carbon diatomic |
rCC |
1.243 |
1.324 |
0.081 |
PO- |
phosphorus monoxide anion |
rOP |
1.540 |
1.621 |
0.081 |
GeBr4 |
Germanium tetrabromide |
rGeBr |
2.272 |
2.353 |
0.081 |
CaS |
Calcium sulfide |
rSCa |
2.318 |
2.398 |
0.080 |
CHClCHCl |
Ethene, 1,2-dichloro-, (E)- |
rCCl |
1.718 |
1.798 |
0.080 |
CH2CClCHCH2 |
1,3-Butadiene, 2-chloro- |
rCCl |
1.742 |
1.822 |
0.080 |
CH2CCl2 |
Ethene, 1,1-dichloro- |
rCCl |
1.710 |
1.790 |
0.080 |
GeF |
Germanium monofluoride |
rFGe |
1.745 |
1.825 |
0.079 |
CH3Cl |
Methyl chloride |
rCCl |
1.785 |
1.865 |
0.079 |
CH3Cl |
Methyl chloride |
rCCl |
1.785 |
1.865 |
0.079 |
GeF |
Germanium monofluoride |
rFGe |
1.745 |
1.825 |
0.079 |
CH3Cl |
Methyl chloride |
rCCl |
1.785 |
1.865 |
0.079 |
ClOOCl |
Dichlorine dioxide |
rOCl |
1.704 |
1.784 |
0.079 |
CaC |
Calcium monocarbide |
rCCa |
2.302 |
2.381 |
0.079 |
CuF |
Copper monofluoride |
rCuF |
1.745 |
1.824 |
0.079 |
MgS |
magnesium sulfide |
rMgS |
2.143 |
2.221 |
0.079 |
C3H5Cl |
1-chloro-1-propene(Z) |
rCCl |
1.735 |
1.814 |
0.079 |
CaBr2 |
Calcium dibromide |
rCaBr |
2.616 |
2.694 |
0.078 |
SiHF3 |
trifluorosilane |
rSiF |
1.563 |
1.641 |
0.078 |
C3H5ClO |
Oxirane, (chloromethyl)- |
rCCl |
1.798 |
1.876 |
0.078 |
Cl2O |
Dichlorine monoxide |
rClO |
1.696 |
1.774 |
0.078 |
CuH |
Copper monohydride |
rCuH |
1.463 |
1.540 |
0.078 |
CuH |
Copper monohydride |
rCuH |
1.463 |
1.540 |
0.078 |
HCCl |
Chloromethylene |
rCCl |
1.696 |
1.773 |
0.077 |
PF5 |
Phosphorus pentafluoride |
rFP |
1.577 |
1.654 |
0.077 |
PF5 |
Phosphorus pentafluoride |
rFP |
1.577 |
1.654 |
0.077 |
CHFClBr |
fluorochlorobromomethane |
rCCl |
1.745 |
1.821 |
0.076 |
SO |
Sulfur monoxide |
rSO |
1.481 |
1.558 |
0.076 |
SO |
Sulfur monoxide |
rSO |
1.481 |
1.558 |
0.076 |
SO |
Sulfur monoxide |
rSO |
1.481 |
1.558 |
0.076 |
SO |
Sulfur monoxide |
rSO |
1.481 |
1.558 |
0.076 |
CHFClBr |
fluorochlorobromomethane |
rCCl |
1.745 |
1.821 |
0.076 |
HOCl |
hypochlorous acid |
rClO |
1.697 |
1.773 |
0.075 |
BH3CO |
Borane carbonyl |
rBC |
1.534 |
1.609 |
0.075 |
HOCl |
hypochlorous acid |
rClO |
1.697 |
1.773 |
0.075 |
CBrClF2 |
Methane, bromochlorodifluoro- |
rCCl |
1.736 |
1.811 |
0.075 |
BH3NH3 |
borane ammonia |
rBN |
1.645 |
1.720 |
0.075 |
BH3NH3 |
borane ammonia |
rBN |
1.645 |
1.720 |
0.075 |
CH3CCl2CH3 |
Propane, 2,2-dichloro- |
rCCl |
1.799 |
1.874 |
0.075 |
BH3NH3 |
borane ammonia |
rBN |
1.645 |
1.720 |
0.075 |
CH3CCl2CH3 |
Propane, 2,2-dichloro- |
rCCl |
1.799 |
1.874 |
0.075 |
HCNO |
fulminic acid |
rNO |
1.199 |
1.274 |
0.075 |
HCNO |
fulminic acid |
rNO |
1.199 |
1.274 |
0.075 |
HCNO |
fulminic acid |
rNO |
1.199 |
1.274 |
0.075 |
C6H4Cl2 |
1,4-dichlorobenzene |
rCCl |
1.729 |
1.804 |
0.075 |
BH3CO |
Borane carbonyl |
rBC |
1.534 |
1.609 |
0.075 |
CH2ClCH2Cl |
Ethane, 1,2-dichloro- |
rCCl |
1.790 |
1.865 |
0.075 |
CH2ClCH2Cl |
Ethane, 1,2-dichloro- |
rCCl |
1.790 |
1.865 |
0.075 |
HCNO |
fulminic acid |
rNO |
1.199 |
1.274 |
0.075 |
TiH |
Titanium monohydride |
rHTi |
1.785 |
1.859 |
0.074 |
CH3S |
thiomethoxy |
rCS |
1.791 |
1.865 |
0.074 |
FSSF |
Difluorodisulfane |
rFS |
1.635 |
1.709 |
0.074 |
CH3CCl3 |
Ethane, 1,1,1-trichloro- |
rCCl |
1.767 |
1.841 |
0.074 |
Si2 |
Silicon diatomic |
rSiSi |
2.246 |
2.320 |
0.074 |
HNCS |
Isothiocyanic acid |
rCS |
1.567 |
1.640 |
0.073 |
SiC2 |
Silicon dicarbide |
rCSi |
1.836 |
1.909 |
0.073 |
C2H2ClF |
1-chloro-1-fluoroethylene |
rCCl |
1.704 |
1.777 |
0.073 |
CH2FCl |
fluorochloromethane |
rCCl |
1.762 |
1.834 |
0.072 |
B4H10 |
Tetraborane(10) |
rBB |
1.856 |
1.928 |
0.072 |
N2O |
Nitrous oxide |
rNO |
1.184 |
1.256 |
0.072 |
N2O |
Nitrous oxide |
rNO |
1.184 |
1.256 |
0.072 |
N2O |
Nitrous oxide |
rNO |
1.184 |
1.256 |
0.072 |
ZnS |
Zinc sulfide |
rSZn |
2.046 |
2.117 |
0.071 |
CH2ClI |
chloroiodomethane |
rCCl |
1.774 |
1.845 |
0.071 |
C4H8O2 |
Ethyl acetate |
rCO |
1.448 |
1.518 |
0.070 |
CH3SCH2CH3 |
Ethane, (methylthio)- |
rCS |
1.804 |
1.874 |
0.070 |
CHClCCl2 |
Trichloroethylene |
rCCl |
1.720 |
1.790 |
0.070 |
Li2+ |
lithium diatomic cation |
rLiLi |
3.112 |
3.182 |
0.070 |
BrF3 |
Bromine trifluoride |
rFBr |
1.721 |
1.791 |
0.070 |
C2H5Br |
Ethyl bromide |
rCBr |
1.950 |
2.019 |
0.069 |
C2H5Br |
Ethyl bromide |
rCBr |
1.950 |
2.019 |
0.069 |
BF |
Boron monofluoride |
rBF |
1.267 |
1.336 |
0.069 |
BF |
Boron monofluoride |
rBF |
1.267 |
1.336 |
0.069 |
CaH |
Calcium monohydride |
rCaH |
2.003 |
2.071 |
0.069 |
C5H6S |
Thiophene, 3-methyl- |
rCS |
1.714 |
1.782 |
0.068 |
CHClCHCl |
Ethene, 1,2-dichloro-, (Z)- |
rCCl |
1.717 |
1.786 |
0.068 |
MgCl2 |
Magnesium dichloride |
rMgCl |
2.180 |
2.248 |
0.068 |
C6H4Cl2 |
1,3-dichlorobenzene |
rCCl |
1.736 |
1.803 |
0.068 |
CH3COCl |
Acetyl Chloride |
rCCl |
1.798 |
1.866 |
0.068 |
CHClCCl2 |
Trichloroethylene |
rCCl |
1.714 |
1.782 |
0.068 |
SiF4 |
Silicon tetrafluoride |
rSiF |
1.554 |
1.622 |
0.068 |
BeCl |
beryllium monochloride |
rBeCl |
1.797 |
1.865 |
0.068 |
BeCl |
beryllium monochloride |
rBeCl |
1.797 |
1.865 |
0.068 |
Se2 |
Selenium diatomic |
rSeSe |
2.166 |
2.234 |
0.068 |
Se2 |
Selenium diatomic |
rSeSe |
2.166 |
2.234 |
0.068 |
Se2 |
Selenium diatomic |
rSeSe |
2.166 |
2.234 |
0.068 |
Se2 |
Selenium diatomic |
rSeSe |
2.166 |
2.234 |
0.068 |
CH2ClCHCHCH3 |
2-Butene, 1-chloro- |
rCCl |
1.807 |
1.874 |
0.067 |
CBrCl3 |
Methane, bromotrichloro- |
rCCl |
1.765 |
1.832 |
0.067 |
BrF3 |
Bromine trifluoride |
rFBr |
1.810 |
1.877 |
0.067 |
CH2SHCH2SH |
1,2-Ethanedithiol |
rCS |
1.819 |
1.885 |
0.066 |
C4H6S |
Thiophene, 2,5-dihydro- |
rCS |
1.816 |
1.882 |
0.066 |
BrF5 |
bromine pentafluoride |
rFBr |
1.774 |
1.840 |
0.066 |
CH2Cl2 |
Methylene chloride |
rCCl |
1.767 |
1.833 |
0.066 |
CH2Cl2 |
Methylene chloride |
rCCl |
1.767 |
1.833 |
0.066 |
CF2CCl2 |
difluorodichloroethylene |
rCCl |
1.706 |
1.772 |
0.066 |
C2H2+ |
acetylene cation |
rCC |
1.253 |
1.319 |
0.066 |
CH2CHCH2F |
Allyl Fluoride |
rCF |
1.370 |
1.436 |
0.066 |
CH2CHCH2F |
Allyl Fluoride |
rCF |
1.370 |
1.436 |
0.066 |
F3NO |
Nitrogen trifluoride oxide |
rNO |
1.158 |
1.223 |
0.065 |
C3H7SH |
1-Propanethiol |
rCS |
1.820 |
1.885 |
0.065 |
CH3CH2SH |
ethanethiol |
rCS |
1.820 |
1.885 |
0.065 |
CH3CH2SH |
ethanethiol |
rCS |
1.820 |
1.885 |
0.065 |
GeH3F |
monofluorogermane |
rGeF |
1.731 |
1.796 |
0.065 |
LiO |
lithium oxide |
rLiO |
1.688 |
1.623 |
-0.065 |
LiO |
lithium oxide |
rLiO |
1.688 |
1.623 |
-0.065 |
Si2H6 |
disilane |
rSiSi |
2.320 |
2.385 |
0.065 |
Si2H6 |
disilane |
rSiSi |
2.320 |
2.385 |
0.065 |
NCl3 |
nitrogen trichloride |
rNCl |
1.754 |
1.818 |
0.065 |
NCl3 |
nitrogen trichloride |
rNCl |
1.754 |
1.818 |
0.065 |
SiP |
Silicon monophosphide |
rSiP |
2.078 |
2.142 |
0.065 |
GeF2 |
Germanium difluoride |
rGeCl |
1.732 |
1.797 |
0.065 |
CH2ClCHCl2 |
1,1,2-trichloroethane |
rCC |
1.580 |
1.515 |
-0.065 |
SiS |
silicon monosulfide |
rSiS |
1.929 |
1.994 |
0.064 |
SiS |
silicon monosulfide |
rSiS |
1.929 |
1.994 |
0.064 |
HCF |
Fluoromethylene |
rCH |
1.138 |
1.074 |
-0.064 |
AlF |
Aluminum monofluoride |
rAlF |
1.654 |
1.718 |
0.064 |
AlF |
Aluminum monofluoride |
rAlF |
1.654 |
1.718 |
0.064 |
HCF |
Fluoromethylene |
rCH |
1.138 |
1.074 |
-0.064 |
CH3Br |
methyl bromide |
rCBr |
1.934 |
1.998 |
0.064 |
CH3Br |
methyl bromide |
rCBr |
1.934 |
1.998 |
0.064 |
GeF+ |
Germanium monofluoride cation |
rFGe |
1.665 |
1.729 |
0.064 |
C4H4S |
Thiophene |
rCS |
1.714 |
1.778 |
0.064 |
MgO |
magnesium oxide |
rMgO |
1.749 |
1.813 |
0.064 |
SeF4 |
Selenium tetrafluoride |
rFSe |
1.682 |
1.745 |
0.063 |
CHClCCl2 |
Trichloroethylene |
rCCl |
1.712 |
1.775 |
0.063 |
CCl2O |
Phosgene |
rCCl |
1.737 |
1.800 |
0.063 |
AlC |
Aluminum carbide |
rCAl |
1.955 |
2.018 |
0.063 |
C5H10S |
2H-Thiopyran, tetrahydro- |
rCS |
1.811 |
1.874 |
0.063 |
CHF2Cl |
difluorochloromethane |
rCCl |
1.747 |
1.810 |
0.063 |
NaS |
Sodium sulfide |
rNaS |
2.489 |
2.551 |
0.063 |
GeS |
Germanium monosulfide |
rSGe |
2.012 |
2.074 |
0.062 |
CF |
Fluoromethylidyne |
rCF |
1.276 |
1.338 |
0.062 |
CF |
Fluoromethylidyne |
rCF |
1.276 |
1.338 |
0.062 |
CH3CH2SH |
ethanethiol |
rCS |
1.820 |
1.882 |
0.062 |
SO |
Sulfur monoxide |
rOS |
1.500 |
1.562 |
0.062 |
SO |
Sulfur monoxide |
rOS |
1.500 |
1.562 |
0.062 |
Si2H2 |
disilyne |
rSiH |
1.668 |
1.730 |
0.062 |
C2Cl4 |
Tetrachloroethylene |
rCCl |
1.718 |
1.780 |
0.062 |
BN |
boron nitride |
rBN |
1.325 |
1.264 |
-0.061 |
BN |
boron nitride |
rBN |
1.325 |
1.264 |
-0.061 |
CH3OCl |
methyl hypochlorite |
rCO |
1.389 |
1.450 |
0.061 |
CH2ClCCCl |
1,3-dichloropropyne |
rCCl |
1.638 |
1.699 |
0.061 |
HNO |
Nitrosyl hydride |
rNH |
1.090 |
1.029 |
-0.061 |
HNO |
Nitrosyl hydride |
rNH |
1.090 |
1.029 |
-0.061 |
B2 |
Boron diatomic |
rBB |
1.590 |
1.529 |
-0.061 |
B2 |
Boron diatomic |
rBB |
1.590 |
1.529 |
-0.061 |
NF |
nitrogen fluoride |
rNF |
1.317 |
1.378 |
0.061 |
NF |
nitrogen fluoride |
rNF |
1.317 |
1.378 |
0.061 |
CH3SCH3 |
Dimethyl sulfide |
rCS |
1.802 |
1.863 |
0.061 |
CH3SCH3 |
Dimethyl sulfide |
rCS |
1.802 |
1.863 |
0.061 |
FNO3 |
Fluorine nitrate |
rNO |
1.507 |
1.446 |
-0.061 |
HCCCl |
Chloroacetylene |
rCCl |
1.637 |
1.698 |
0.061 |
C2H5I |
Ethyl iodide |
rCI |
2.151 |
2.212 |
0.061 |
HCF |
Fluoromethylene |
rCF |
1.305 |
1.365 |
0.060 |
CF2Cl2 |
difluorodichloromethane |
rCCl |
1.744 |
1.804 |
0.060 |
CF2Cl2 |
difluorodichloromethane |
rCCl |
1.744 |
1.804 |
0.060 |
BrF |
Bromine monofluoride |
rFBr |
1.759 |
1.819 |
0.060 |
BrF |
Bromine monofluoride |
rFBr |
1.759 |
1.819 |
0.060 |
CH3SCH2CH3 |
Ethane, (methylthio)- |
rCS |
1.804 |
1.864 |
0.060 |
HCF |
Fluoromethylene |
rCF |
1.305 |
1.365 |
0.060 |
CHCl3 |
Chloroform |
rCCl |
1.762 |
1.822 |
0.060 |
CHCl3 |
Chloroform |
rCCl |
1.762 |
1.822 |
0.060 |
HCF |
Fluoromethylene |
rCF |
1.305 |
1.365 |
0.060 |
KOH |
Potassium hydroxide |
rOK |
2.212 |
2.271 |
0.060 |
C2Cl2 |
dichloroacetylene |
rCC |
1.246 |
1.187 |
-0.059 |
FNO2 |
Nitryl fluoride |
rNF |
1.467 |
1.408 |
-0.059 |
CH2ClCHO |
chloroacetaldehyde |
rCCl |
1.782 |
1.841 |
0.059 |
AsF |
Arsenic monofluoride |
rFAs |
1.736 |
1.795 |
0.059 |
AsF |
Arsenic monofluoride |
rFAs |
1.736 |
1.795 |
0.059 |
CH3SSCH3 |
Disulfide, dimethyl |
rCS |
1.810 |
1.869 |
0.059 |
ClCOClCO |
Oxalyl chloride |
rCCl |
1.744 |
1.803 |
0.059 |
CH2BrF |
Methane, bromofluoro- |
rCBr |
1.915 |
1.973 |
0.058 |
C3H6S3 |
1,3,5-Trithiane |
rCS |
1.801 |
1.859 |
0.058 |
SO |
Sulfur monoxide |
rOS |
1.500 |
1.558 |
0.057 |
SO |
Sulfur monoxide |
rOS |
1.500 |
1.558 |
0.057 |
SO |
Sulfur monoxide |
rOS |
1.500 |
1.558 |
0.057 |
SO |
Sulfur monoxide |
rOS |
1.500 |
1.558 |
0.057 |
CH2CHCH2F |
Allyl Fluoride |
rCF |
1.370 |
1.427 |
0.057 |
CH2CHCH2F |
Allyl Fluoride |
rCF |
1.370 |
1.427 |
0.057 |
C3H5Cl3 |
Propane, 1,2,3-trichloro- |
rCH |
1.131 |
1.074 |
-0.057 |
C2H3Br |
vinyl bromide |
rCBr |
1.884 |
1.941 |
0.057 |
C3H8O2 |
1,3-Propanediol |
rCH |
1.140 |
1.083 |
-0.057 |
CCl4 |
Carbon tetrachloride |
rCCl |
1.767 |
1.824 |
0.057 |
CCl4 |
Carbon tetrachloride |
rCCl |
1.767 |
1.824 |
0.057 |
SiSe |
Silicon Monoselenide |
rSiSe |
2.058 |
2.115 |
0.056 |
C6H6 |
Fulvene |
rCH |
1.130 |
1.074 |
-0.056 |
C2H6O2S |
Dimethyl sulfone |
rCS |
1.777 |
1.833 |
0.056 |
C2H6O2S |
Dimethyl sulfone |
rCS |
1.777 |
1.833 |
0.056 |
C3H6S |
Thietane |
rCS |
1.847 |
1.903 |
0.056 |
CH3CSNH2 |
Ethanethioamide |
rHN |
1.050 |
0.995 |
-0.055 |
C2H5NO3 |
Nitric acid, ethyl ester |
rCO |
1.430 |
1.485 |
0.055 |
ClCN |
chlorocyanogen |
rCCl |
1.629 |
1.684 |
0.055 |
B4H10 |
Tetraborane(10) |
rHB |
1.315 |
1.260 |
-0.055 |
IF |
Iodine monofluoride |
rFI |
1.910 |
1.965 |
0.055 |
XeF2 |
Xenon difluoride |
rFXe |
1.974 |
2.029 |
0.055 |
B3N3H6 |
borazine |
rNH |
1.050 |
0.995 |
-0.055 |
GaF |
Gallium monofluoride |
rFGa |
1.774 |
1.829 |
0.054 |
GeSe |
Germanium monoselenide |
rGeSe |
2.135 |
2.189 |
0.054 |
GaF |
Gallium monofluoride |
rFGa |
1.774 |
1.829 |
0.054 |
NaCl |
Sodium Chloride |
rNaCl |
2.361 |
2.415 |
0.054 |
NaCl |
Sodium Chloride |
rNaCl |
2.361 |
2.415 |
0.054 |
CH3CH2NH2 |
Ethylamine |
rNH |
1.052 |
0.998 |
-0.054 |
He2+ |
helium diatomic cation |
rHeHe |
1.081 |
1.135 |
0.054 |
He2+ |
helium diatomic cation |
rHeHe |
1.081 |
1.135 |
0.054 |
NHCl2 |
dichloroamine |
rNCl |
1.760 |
1.814 |
0.054 |
CH2CHCH2F |
Allyl Fluoride |
rCF |
1.382 |
1.436 |
0.054 |
CH2CHCH2F |
Allyl Fluoride |
rCF |
1.382 |
1.436 |
0.054 |
CH3CSNH2 |
Ethanethioamide |
rCS |
1.647 |
1.701 |
0.054 |
AlP |
Aluminum monophosphide |
rAlP |
2.260 |
2.207 |
-0.053 |
AlP |
Aluminum monophosphide |
rAlP |
2.260 |
2.207 |
-0.053 |
AlP |
Aluminum monophosphide |
rAlP |
2.260 |
2.207 |
-0.053 |
FNO |
Nitrosyl fluoride |
rNF |
1.512 |
1.459 |
-0.053 |
FNO |
Nitrosyl fluoride |
rNF |
1.512 |
1.459 |
-0.053 |
CH3SH |
Methanethiol |
rCS |
1.818 |
1.871 |
0.053 |
CH3SH |
Methanethiol |
rCS |
1.818 |
1.871 |
0.053 |
CH3SH |
Methanethiol |
rCS |
1.818 |
1.871 |
0.053 |
C4H6 |
1-Methylcyclopropene |
rCC |
1.476 |
1.529 |
0.053 |
CF2 |
Difluoromethylene |
rCF |
1.297 |
1.350 |
0.053 |
CHSNH2 |
thioformamide |
rCS |
1.626 |
1.679 |
0.053 |
GeF4 |
Germanium tetrafluoride |
rFGe |
1.670 |
1.723 |
0.053 |
GeF4 |
Germanium tetrafluoride |
rFGe |
1.670 |
1.723 |
0.053 |
C3H3NO |
Isoxazole |
rCC |
1.356 |
1.304 |
-0.052 |
HNO2 |
Nitrous acid |
rNO |
1.442 |
1.390 |
-0.052 |
BrNO |
Nitrosyl bromide |
rNBr |
2.140 |
2.088 |
-0.052 |
AsF |
Arsenic monofluoride |
rFAs |
1.736 |
1.788 |
0.052 |
OPCl |
Phosphorus oxychloride |
rPO |
1.462 |
1.513 |
0.051 |
C4H8S |
Thiophene, tetrahydro- |
rCS |
1.835 |
1.886 |
0.051 |
SeF4 |
Selenium tetrafluoride |
rFSe |
1.771 |
1.822 |
0.051 |
CH3I |
methyl iodide |
rCI |
2.136 |
2.186 |
0.051 |
CH3I |
methyl iodide |
rCI |
2.136 |
2.186 |
0.051 |
AsF5 |
Arsenic pentafluoride |
rAsF |
1.656 |
1.706 |
0.050 |
CH3CH2O |
Ethoxy radical |
rCO |
1.388 |
1.438 |
0.050 |
H2COO |
Dioxymethyl radical |
rCO |
1.272 |
1.222 |
-0.050 |
CH3CHNOH |
Acetaldoxime |
rCC |
1.550 |
1.500 |
-0.050 |
640 molecules.