Species |
Name |
Bond type |
Bond Length (Å) |
Experimental |
Calculated |
Difference |
C4H6 |
1-Methylcyclopropene |
rCH |
1.085 |
4.217 |
3.132 |
C4H6 |
1-Methylcyclopropene |
rCH |
1.087 |
3.428 |
2.341 |
S4 |
Sulfur tetramer |
rSS |
2.155 |
3.112 |
0.957 |
HSSSH |
trisulfane |
rHS |
1.344 |
2.228 |
0.884 |
HSSSH |
trisulfane |
rHS |
1.344 |
2.228 |
0.884 |
HSSSH |
trisulfane |
rHS |
1.344 |
2.228 |
0.884 |
HSSSH |
trisulfane |
rHS |
1.344 |
2.228 |
0.884 |
CH3CH2SH |
ethanethiol |
rCH |
1.095 |
1.894 |
0.799 |
CH3CH2SH |
ethanethiol |
rCH |
1.095 |
1.891 |
0.796 |
C4H6 |
1-Methylcyclopropene |
rCC |
1.476 |
2.270 |
0.794 |
C4H6 |
1-Methylcyclopropene |
rCH |
1.087 |
1.823 |
0.736 |
C4H6 |
1-Methylcyclopropene |
rCH |
1.098 |
1.777 |
0.679 |
C4H6 |
1-Methylcyclopropene |
rCH |
1.098 |
1.760 |
0.662 |
CH3SO2NH2 |
methanesulfonamide |
rCN |
1.207 |
1.787 |
0.581 |
S4 |
Sulfur tetramer |
rSS |
2.155 |
2.708 |
0.553 |
C4H6 |
1-Methylcyclopropene |
rCH |
1.070 |
1.521 |
0.451 |
Be2 |
Beryllium diatomic |
rBeBe |
2.460 |
2.020 |
-0.440 |
S4 |
Sulfur tetramer |
rSS |
2.155 |
2.595 |
0.440 |
C4H10O |
Methyl propyl ether |
rCC |
1.530 |
1.097 |
-0.433 |
CH3CH2SH |
ethanethiol |
rCH |
1.089 |
1.519 |
0.430 |
CH3CH2SH |
ethanethiol |
rCH |
1.089 |
1.518 |
0.429 |
CH3CH2SH |
ethanethiol |
rCH |
1.092 |
1.519 |
0.427 |
CH3CH2SH |
ethanethiol |
rCH |
1.092 |
1.518 |
0.426 |
C4H6 |
1-Methylcyclopropene |
rCC |
1.515 |
1.092 |
-0.423 |
C2H4F2 |
1,2-difluoroethane |
rCH |
1.093 |
1.510 |
0.417 |
S4 |
Sulfur tetramer |
rSS |
1.898 |
2.304 |
0.406 |
C2H4F2 |
1,2-difluoroethane |
rCH |
1.093 |
1.498 |
0.405 |
CH3CH2SH |
ethanethiol |
rCC |
1.528 |
1.894 |
0.366 |
CH3CH2SH |
ethanethiol |
rCC |
1.528 |
1.891 |
0.363 |
CH2CHCH2F |
Allyl Fluoride |
rHC |
1.130 |
1.491 |
0.361 |
S3 |
Sulfur trimer |
rSS |
1.917 |
2.276 |
0.359 |
CH2CHCH2F |
Allyl Fluoride |
rHC |
1.130 |
1.488 |
0.358 |
Ar2+ |
Argon diatomic cation |
rArAr |
2.320 |
2.675 |
0.355 |
C3H3NO |
Isoxazole |
rCH |
1.075 |
1.426 |
0.351 |
Al2Cl6 |
Aluminum, di-μ-chlorotetrachlorodi- |
rAlCl |
2.040 |
2.390 |
0.350 |
ONNO |
NO dimer |
rNN |
2.236 |
1.887 |
-0.349 |
GaP |
Gallium monophosphide |
rPGa |
2.450 |
2.111 |
-0.339 |
GaP |
Gallium monophosphide |
rPGa |
2.450 |
2.111 |
-0.339 |
GaP |
Gallium monophosphide |
rPGa |
2.450 |
2.111 |
-0.339 |
GaP |
Gallium monophosphide |
rPGa |
2.450 |
2.111 |
-0.339 |
C4H10O |
Methyl propyl ether |
rCH |
1.099 |
1.436 |
0.337 |
CH3CH2SH |
ethanethiol |
rCS |
1.820 |
1.518 |
-0.302 |
CH3CH2SH |
ethanethiol |
rCS |
1.820 |
1.519 |
-0.301 |
CaO |
Calcium monoxide |
rOCa |
1.822 |
2.119 |
0.297 |
CaS |
Calcium sulfide |
rSCa |
2.318 |
2.611 |
0.294 |
HClO4 |
perchloric acid |
rOCl |
1.641 |
1.924 |
0.283 |
HClO4 |
perchloric acid |
rOCl |
1.404 |
1.683 |
0.279 |
C2H2+ |
acetylene cation |
rCH |
1.077 |
1.345 |
0.268 |
AlP |
Aluminum monophosphide |
rAlP |
2.400 |
2.140 |
-0.260 |
AlP |
Aluminum monophosphide |
rAlP |
2.400 |
2.140 |
-0.260 |
AlP |
Aluminum monophosphide |
rAlP |
2.400 |
2.140 |
-0.260 |
ClF3 |
Chlorine trifluoride |
rFCl |
1.597 |
1.856 |
0.260 |
ClF3 |
Chlorine trifluoride |
rFCl |
1.597 |
1.856 |
0.260 |
HClO4 |
perchloric acid |
rOCl |
1.414 |
1.673 |
0.259 |
Ne2 |
Neon diatomic |
rNeNe |
3.100 |
2.841 |
-0.259 |
Mg2 |
Magnesium diatomic |
rMgMg |
3.891 |
3.634 |
-0.257 |
OClO |
Chlorine dioxide |
rClO |
1.470 |
1.708 |
0.238 |
SF5Cl |
sulfur chloropentafluoride |
rSCl |
2.030 |
2.266 |
0.236 |
Si2H2 |
disilyne |
rSiH |
1.668 |
1.899 |
0.231 |
ClOF3 |
Chlorine trifluoride oxide |
rOCl |
1.405 |
1.635 |
0.230 |
ClOF3 |
Chlorine trifluoride oxide |
rFCl |
1.603 |
1.833 |
0.230 |
C4H6 |
1-Methylcyclopropene |
rCC |
1.300 |
1.519 |
0.219 |
CaBr |
Calcium monobromide |
rCaBr |
2.594 |
2.805 |
0.211 |
Si2H2 |
disilyne |
rSiSi |
2.215 |
2.005 |
-0.211 |
Cl2+ |
chlorine diatomic cation |
rClCl |
1.892 |
2.100 |
0.208 |
SO2F2 |
Sulfuryl fluoride |
rFS |
1.530 |
1.735 |
0.205 |
C2H6O2S |
Dimethyl sulfone |
rSO |
1.431 |
1.634 |
0.203 |
SFCl |
Sulfur chloride fluoride |
rSCl |
1.994 |
2.192 |
0.198 |
Si2H2 |
disilyne |
rSiH |
1.668 |
1.474 |
-0.194 |
SOF4 |
Sulfur tetrafluoride oxide |
rFS |
1.539 |
1.731 |
0.192 |
Cl2 |
Chlorine diatomic |
rClCl |
1.988 |
2.180 |
0.192 |
CH3SSH |
Hydrogen methyl disulfide |
rSS |
2.038 |
2.229 |
0.191 |
SCl |
sulfur monochloride |
rSCl |
1.975 |
2.165 |
0.190 |
SCl |
sulfur monochloride |
rSCl |
1.975 |
2.165 |
0.190 |
CH3SOCH3 |
Dimethyl sulfoxide |
rSO |
1.485 |
1.674 |
0.189 |
OPCl |
Phosphorus oxychloride |
rPCl |
2.059 |
2.247 |
0.188 |
SCl2 |
Sulfur dichloride |
rSCl |
2.013 |
2.200 |
0.188 |
SO3 |
Sulfur trioxide |
rSO |
1.418 |
1.604 |
0.187 |
ClOOCl |
Dichlorine dioxide |
rOCl |
1.704 |
1.889 |
0.185 |
SSO |
Disulfur monoxide |
rSS |
1.884 |
2.064 |
0.180 |
H2S2 |
Disulfane |
rSS |
2.056 |
2.234 |
0.178 |
CaC |
Calcium monocarbide |
rCCa |
2.302 |
2.479 |
0.178 |
SO2F2 |
Sulfuryl fluoride |
rOS |
1.405 |
1.581 |
0.176 |
ClF3 |
Chlorine trifluoride |
rFCl |
1.597 |
1.773 |
0.176 |
ClF3 |
Chlorine trifluoride |
rFCl |
1.597 |
1.773 |
0.176 |
SF4 |
Sulfur tetrafluoride |
rSF |
1.545 |
1.721 |
0.176 |
HSSSH |
trisulfane |
rSS |
2.053 |
2.228 |
0.175 |
HSSSH |
trisulfane |
rSS |
2.053 |
2.228 |
0.175 |
HSSSH |
trisulfane |
rSS |
2.053 |
2.228 |
0.175 |
HSSSH |
trisulfane |
rSS |
2.053 |
2.228 |
0.175 |
GaP |
Gallium monophosphide |
rPGa |
2.110 |
2.284 |
0.174 |
GaP |
Gallium monophosphide |
rPGa |
2.110 |
2.284 |
0.174 |
GaP |
Gallium monophosphide |
rPGa |
2.110 |
2.284 |
0.174 |
GaP |
Gallium monophosphide |
rPGa |
2.110 |
2.284 |
0.174 |
BrCl |
Bromine monochloride |
rClBr |
2.136 |
2.310 |
0.174 |
HSSSH |
trisulfane |
rSS |
2.054 |
2.228 |
0.174 |
HSSSH |
trisulfane |
rSS |
2.054 |
2.228 |
0.174 |
HSSSH |
trisulfane |
rSS |
2.054 |
2.228 |
0.174 |
HSSSH |
trisulfane |
rSS |
2.054 |
2.228 |
0.174 |
F2SO |
Thionyl Fluoride |
rFS |
1.585 |
1.757 |
0.171 |
FSN |
Thiazyl fluoride |
rFS |
1.643 |
1.813 |
0.170 |
Ar2 |
Argon diatomic |
rArAr |
3.758 |
3.927 |
0.169 |
SOF4 |
Sulfur tetrafluoride oxide |
rSO |
1.409 |
1.578 |
0.169 |
SO2 |
Sulfur dioxide |
rSO |
1.432 |
1.601 |
0.168 |
SO2 |
Sulfur dioxide |
rSO |
1.432 |
1.600 |
0.168 |
NCl |
nitrogen monochloride |
rNCl |
1.611 |
1.779 |
0.168 |
CaH |
Calcium monohydride |
rCaH |
2.003 |
2.169 |
0.167 |
S3 |
Sulfur trimer |
rSS |
1.917 |
2.084 |
0.167 |
GaP |
Gallium monophosphide |
rPGa |
2.450 |
2.284 |
-0.166 |
GaP |
Gallium monophosphide |
rPGa |
2.450 |
2.284 |
-0.166 |
GaP |
Gallium monophosphide |
rPGa |
2.450 |
2.284 |
-0.166 |
GaP |
Gallium monophosphide |
rPGa |
2.450 |
2.284 |
-0.166 |
SSO |
Disulfur monoxide |
rSO |
1.456 |
1.622 |
0.166 |
Br2 |
Bromine diatomic |
rBrBr |
2.281 |
2.443 |
0.162 |
HSiCl |
Chlorosilylene |
rSiCl |
2.067 |
2.228 |
0.161 |
ClOF3 |
Chlorine trifluoride oxide |
rFCl |
1.713 |
1.874 |
0.161 |
SiCl |
Clorosilylidyne |
rSiCl |
2.061 |
2.222 |
0.161 |
SF6 |
Sulfur Hexafluoride |
rSF |
1.561 |
1.721 |
0.160 |
ClF3 |
Chlorine trifluoride |
rFCl |
1.697 |
1.856 |
0.160 |
ClF3 |
Chlorine trifluoride |
rFCl |
1.697 |
1.856 |
0.160 |
S2N2 |
Disulfur dinitride |
rNS |
1.642 |
1.800 |
0.159 |
SF5Cl |
sulfur chloropentafluoride |
rFS |
1.576 |
1.734 |
0.158 |
CH3OCl |
methyl hypochlorite |
rOCl |
1.674 |
1.831 |
0.157 |
F2SO |
Thionyl Fluoride |
rOS |
1.413 |
1.568 |
0.155 |
ClF3 |
Chlorine trifluoride |
rFCl |
1.697 |
1.851 |
0.154 |
ClF3 |
Chlorine trifluoride |
rFCl |
1.697 |
1.851 |
0.154 |
Si2H2 |
disilyne |
rSiH |
1.668 |
1.514 |
-0.154 |
SOF4 |
Sulfur tetrafluoride oxide |
rFS |
1.596 |
1.748 |
0.152 |
S2 |
Sulfur diatomic |
rSS |
1.889 |
2.041 |
0.152 |
ClO |
Monochlorine monoxide |
rClO |
1.596 |
1.747 |
0.151 |
CFCl |
chlorofluoromethylene |
rCCl |
1.714 |
1.865 |
0.151 |
CHF2CHF2 |
1,1,2,2-tetrafluoroethane |
rCF |
1.359 |
1.508 |
0.149 |
AlCl |
Aluminum monochloride |
rAlCl |
2.130 |
2.278 |
0.147 |
SeCl2 |
Selenium Dichloride |
rClSe |
2.157 |
2.304 |
0.147 |
KrF2 |
Krypton difluoride |
rFKr |
1.875 |
2.022 |
0.147 |
NBr |
nitrogen monobromide |
rNBr |
1.765 |
1.911 |
0.146 |
SO |
Sulfur monoxide |
rSO |
1.481 |
1.627 |
0.146 |
SO |
Sulfur monoxide |
rSO |
1.481 |
1.627 |
0.146 |
S4 |
Sulfur tetramer |
rSS |
1.898 |
2.043 |
0.145 |
SO |
Sulfur monoxide |
rSO |
1.481 |
1.626 |
0.145 |
SO |
Sulfur monoxide |
rSO |
1.481 |
1.626 |
0.145 |
SO |
Sulfur monoxide |
rSO |
1.481 |
1.626 |
0.145 |
SO |
Sulfur monoxide |
rSO |
1.481 |
1.626 |
0.145 |
S4 |
Sulfur tetramer |
rSS |
1.898 |
2.042 |
0.144 |
SF2 |
sulfur difluoride |
rSF |
1.587 |
1.730 |
0.143 |
HOSH |
hydrogen thioperoxide |
rSO |
1.662 |
1.803 |
0.141 |
BrO |
Bromine monoxide |
rOBr |
1.718 |
1.857 |
0.139 |
GaP |
Gallium monophosphide |
rPGa |
2.250 |
2.111 |
-0.139 |
GaP |
Gallium monophosphide |
rPGa |
2.250 |
2.111 |
-0.139 |
GaP |
Gallium monophosphide |
rPGa |
2.250 |
2.111 |
-0.139 |
GaP |
Gallium monophosphide |
rPGa |
2.250 |
2.111 |
-0.139 |
BrO |
Bromine monoxide |
rOBr |
1.718 |
1.855 |
0.137 |
SiH3Cl |
chlorosilane |
rSiCl |
2.051 |
2.185 |
0.134 |
PF5 |
Phosphorus pentafluoride |
rPF |
1.534 |
1.667 |
0.133 |
SFCl |
Sulfur chloride fluoride |
rFS |
1.606 |
1.739 |
0.133 |
SiH2Cl2 |
dichlorosilane |
rSiCl |
2.033 |
2.166 |
0.133 |
CaBr2 |
Calcium dibromide |
rCaBr |
2.616 |
2.748 |
0.132 |
SiCl3CH3 |
methyltrichlorosilane |
rSiCl |
2.026 |
2.158 |
0.132 |
NCl3 |
nitrogen trichloride |
rNCl |
1.754 |
1.884 |
0.131 |
SiBr |
Silicon monobromide |
rSiBr |
2.209 |
2.339 |
0.130 |
PF2 |
Phosphorus difluoride |
rPF |
1.579 |
1.710 |
0.130 |
SF |
Monosulfur monofluoride |
rSF |
1.599 |
1.729 |
0.130 |
GaP |
Gallium monophosphide |
rPGa |
2.240 |
2.111 |
-0.129 |
GaP |
Gallium monophosphide |
rPGa |
2.240 |
2.111 |
-0.129 |
GaP |
Gallium monophosphide |
rPGa |
2.240 |
2.111 |
-0.129 |
GaP |
Gallium monophosphide |
rPGa |
2.240 |
2.111 |
-0.129 |
SF4 |
Sulfur tetrafluoride |
rSF |
1.646 |
1.774 |
0.128 |
He2+ |
helium diatomic cation |
rHeHe |
1.081 |
1.209 |
0.128 |
LiK |
Lithium Potassium |
rLiK |
3.270 |
3.397 |
0.127 |
SO |
Sulfur monoxide |
rOS |
1.500 |
1.627 |
0.127 |
SO |
Sulfur monoxide |
rOS |
1.500 |
1.627 |
0.127 |
N2 |
Nitrogen diatomic |
rNN |
1.098 |
1.224 |
0.126 |
N2 |
Nitrogen diatomic |
rNN |
1.098 |
1.224 |
0.126 |
ClF |
Chlorine monofluoride |
rFCl |
1.628 |
1.754 |
0.126 |
SO |
Sulfur monoxide |
rOS |
1.500 |
1.626 |
0.126 |
SO |
Sulfur monoxide |
rOS |
1.500 |
1.626 |
0.126 |
SO |
Sulfur monoxide |
rOS |
1.500 |
1.626 |
0.126 |
SO |
Sulfur monoxide |
rOS |
1.500 |
1.626 |
0.126 |
PBr3 |
Phosphorus tribromide |
rPBr |
2.220 |
2.345 |
0.125 |
SO+ |
sulfur monoxide cation |
rOS |
1.424 |
1.548 |
0.124 |
HCCl |
Chloromethylene |
rCCl |
1.696 |
1.820 |
0.124 |
SiF+ |
silicon monofluoride cation |
rFSi |
1.527 |
1.649 |
0.122 |
HOCl |
hypochlorous acid |
rClO |
1.697 |
1.819 |
0.121 |
SiBr+ |
Silicon monobromide cation |
rSiBr |
2.095 |
2.216 |
0.121 |
AlP |
Aluminum monophosphide |
rAlP |
2.260 |
2.140 |
-0.120 |
AlP |
Aluminum monophosphide |
rAlP |
2.260 |
2.140 |
-0.120 |
AlP |
Aluminum monophosphide |
rAlP |
2.260 |
2.140 |
-0.120 |
PS |
phosphorus sulfide |
rPS |
1.900 |
2.018 |
0.118 |
AsCl3 |
Arsenous trichloride |
rClAs |
2.166 |
2.282 |
0.117 |
SiF3 |
Silicon trifluoride radical |
rFSi |
1.565 |
1.680 |
0.115 |
As4 |
Arsenic tetramer |
rAsAs |
2.435 |
2.549 |
0.114 |
GeCl |
Germanium monochloride |
rClGe |
2.164 |
2.277 |
0.113 |
GeCl |
Germanium monochloride |
rClGe |
2.164 |
2.276 |
0.113 |
PO |
Phosphorus monoxide |
rPO |
1.476 |
1.588 |
0.112 |
HSiBr |
monobromosilylene |
rSiBr |
2.237 |
2.347 |
0.110 |
SiF |
silicon monofluoride |
rSiF |
1.604 |
1.714 |
0.110 |
CH2ClCCCl |
1,3-dichloropropyne |
rCCl |
1.779 |
1.888 |
0.110 |
SiF2 |
Silicon difluoride |
rFSi |
1.590 |
1.699 |
0.109 |
SiF2 |
Silicon difluoride |
rFSi |
1.590 |
1.699 |
0.109 |
BrO+ |
Bromine monoxide cation |
rOBr |
1.635 |
1.743 |
0.108 |
PF5 |
Phosphorus pentafluoride |
rFP |
1.577 |
1.685 |
0.108 |
NHCl2 |
dichloroamine |
rNCl |
1.760 |
1.868 |
0.108 |
SiH2F2 |
difluorosilane |
rSiF |
1.576 |
1.683 |
0.107 |
SiH3F |
monofluorosilane |
rSiF |
1.595 |
1.702 |
0.107 |
OPCl |
Phosphorus oxychloride |
rPO |
1.462 |
1.569 |
0.107 |
AlBr |
Aluminum monobromide |
rAlBr |
2.295 |
2.401 |
0.106 |
CO |
Carbon monoxide |
rCO |
1.128 |
1.234 |
0.106 |
CBr |
Carbon monobromide |
rCBr |
1.821 |
1.925 |
0.104 |
CH3CHClCH3 |
Propane, 2-chloro- |
rCCl |
1.798 |
1.902 |
0.104 |
CH3CHClCH3 |
Propane, 2-chloro- |
rCCl |
1.798 |
1.902 |
0.104 |
SiHF3 |
trifluorosilane |
rSiF |
1.563 |
1.665 |
0.102 |
NS |
Mononitrogen monosulfide |
rNS |
1.497 |
1.598 |
0.101 |
K2 |
Potassium diatomic |
rKK |
3.905 |
4.006 |
0.101 |
AlP |
Aluminum monophosphide |
rAlP |
2.400 |
2.301 |
-0.099 |
AlP |
Aluminum monophosphide |
rAlP |
2.400 |
2.301 |
-0.099 |
AlP |
Aluminum monophosphide |
rAlP |
2.400 |
2.301 |
-0.099 |
AlP |
Aluminum monophosphide |
rAlP |
2.400 |
2.301 |
-0.099 |
AlP |
Aluminum monophosphide |
rAlP |
2.400 |
2.301 |
-0.099 |
AlP |
Aluminum monophosphide |
rAlP |
2.400 |
2.301 |
-0.099 |
CH2ClCHCHCH3 |
2-Butene, 1-chloro- |
rCCl |
1.807 |
1.906 |
0.099 |
N2 |
Nitrogen diatomic |
rNN |
1.213 |
1.115 |
-0.098 |
N2 |
Nitrogen diatomic |
rNN |
1.213 |
1.115 |
-0.098 |
N2 |
Nitrogen diatomic |
rNN |
1.213 |
1.115 |
-0.098 |
N2 |
Nitrogen diatomic |
rNN |
1.213 |
1.115 |
-0.098 |
N2 |
Nitrogen diatomic |
rNN |
1.213 |
1.115 |
-0.098 |
N2 |
Nitrogen diatomic |
rNN |
1.213 |
1.115 |
-0.098 |
SeF4 |
Selenium tetrafluoride |
rFSe |
1.682 |
1.780 |
0.098 |
FSN |
Thiazyl fluoride |
rNS |
1.448 |
1.546 |
0.098 |
SiS |
silicon monosulfide |
rSiS |
1.929 |
2.026 |
0.097 |
Si2H2 |
disilyne |
rSiSi |
2.215 |
2.312 |
0.096 |
Se2 |
Selenium diatomic |
rSeSe |
2.166 |
2.259 |
0.093 |
HOBr |
Hypobromous acid |
rBrO |
1.834 |
1.926 |
0.092 |
BrF |
Bromine monofluoride |
rFBr |
1.759 |
1.850 |
0.091 |
SiP |
Silicon monophosphide |
rSiP |
2.078 |
2.168 |
0.090 |
C2H4S |
Thiirane |
rCS |
1.815 |
1.905 |
0.090 |
Li2 |
Lithium diatomic |
rLiLi |
2.673 |
2.763 |
0.090 |
SiH3Br |
bromosilane |
rSiBr |
2.210 |
2.299 |
0.089 |
C2H6O2S |
Dimethyl sulfone |
rCS |
1.777 |
1.866 |
0.089 |
GeCl2 |
Germanium dichloride |
rClGe |
2.186 |
2.275 |
0.089 |
GaCl |
Gallium monochloride |
rClGa |
2.202 |
2.290 |
0.088 |
Si2H2 |
disilyne |
rSiH |
1.668 |
1.755 |
0.087 |
SiC2 |
Silicon dicarbide |
rCSi |
1.836 |
1.923 |
0.087 |
GaCl |
Gallium monochloride |
rClGa |
2.202 |
2.289 |
0.087 |
Si2H2 |
disilyne |
rSiSi |
2.215 |
2.129 |
-0.086 |
CHFClBr |
fluorochlorobromomethane |
rCCl |
1.745 |
1.829 |
0.084 |
CHFClBr |
fluorochlorobromomethane |
rCCl |
1.745 |
1.829 |
0.084 |
C2 |
Carbon diatomic |
rCC |
1.243 |
1.326 |
0.083 |
CH3SOCH3 |
Dimethyl sulfoxide |
rCS |
1.799 |
1.882 |
0.083 |
CH2CClCHCH2 |
1,3-Butadiene, 2-chloro- |
rCCl |
1.742 |
1.823 |
0.081 |
AlP |
Aluminum monophosphide |
rAlP |
2.220 |
2.301 |
0.081 |
AlP |
Aluminum monophosphide |
rAlP |
2.220 |
2.301 |
0.081 |
AlP |
Aluminum monophosphide |
rAlP |
2.220 |
2.301 |
0.081 |
AlP |
Aluminum monophosphide |
rAlP |
2.220 |
2.301 |
0.081 |
AlP |
Aluminum monophosphide |
rAlP |
2.220 |
2.301 |
0.081 |
AlP |
Aluminum monophosphide |
rAlP |
2.220 |
2.301 |
0.081 |
SeO |
Selenium monoxide |
rSeO |
1.639 |
1.720 |
0.081 |
CH2BrCl |
Methane, bromochloro- |
rCCl |
1.755 |
1.835 |
0.080 |
AlP |
Aluminum monophosphide |
rAlP |
2.220 |
2.140 |
-0.080 |
AlP |
Aluminum monophosphide |
rAlP |
2.220 |
2.140 |
-0.080 |
AlP |
Aluminum monophosphide |
rAlP |
2.220 |
2.140 |
-0.080 |
SiO |
Silicon monoxide |
rSiO |
1.510 |
1.590 |
0.080 |
SeO2 |
Selenium dioxide |
rSeO |
1.607 |
1.687 |
0.080 |
CH2Cl |
chloromethyl radical |
rCCl |
1.691 |
1.770 |
0.079 |
CH2Cl |
chloromethyl radical |
rCCl |
1.691 |
1.770 |
0.079 |
C2H2ClF |
1-chloro-1-fluoroethylene |
rCCl |
1.704 |
1.783 |
0.079 |
CH2Cl |
chloromethyl radical |
rCCl |
1.691 |
1.770 |
0.079 |
CH2Cl |
chloromethyl radical |
rCCl |
1.691 |
1.770 |
0.079 |
CH3CCl2CH3 |
Propane, 2,2-dichloro- |
rCCl |
1.799 |
1.878 |
0.079 |
P2 |
Phosphorus diatomic |
rPP |
1.893 |
1.972 |
0.078 |
Al2Cl6 |
Aluminum, di-μ-chlorotetrachlorodi- |
rAlCl |
2.240 |
2.162 |
-0.078 |
KH |
Potassium hydride |
rKH |
2.243 |
2.320 |
0.078 |
LiCl |
lithium chloride |
rLiCl |
2.021 |
2.097 |
0.076 |
C6H4Cl2 |
1,4-dichlorobenzene |
rCCl |
1.729 |
1.804 |
0.075 |
CH2ClCHO |
chloroacetaldehyde |
rCCl |
1.782 |
1.857 |
0.075 |
CF2Cl2 |
difluorodichloromethane |
rCCl |
1.744 |
1.819 |
0.075 |
AlC |
Aluminum carbide |
rCAl |
1.955 |
2.030 |
0.075 |
NH2SH |
Thiohydroxylamine |
rNS |
1.705 |
1.780 |
0.075 |
NH2SH |
Thiohydroxylamine |
rNS |
1.705 |
1.780 |
0.075 |
NH2SH |
Thiohydroxylamine |
rNS |
1.705 |
1.780 |
0.075 |
NH2SH |
Thiohydroxylamine |
rNS |
1.705 |
1.780 |
0.075 |
CH3CH2SH |
ethanethiol |
rCS |
1.820 |
1.894 |
0.074 |
SiBr4 |
Silicon tetrabromide |
rSiBr |
2.183 |
2.256 |
0.073 |
Be2 |
Beryllium diatomic |
rBeBe |
2.460 |
2.533 |
0.073 |
LiS |
Lithium monosulfide |
rLiS |
2.150 |
2.222 |
0.073 |
BeCl2 |
Beryllium chloride |
rBeCl |
1.750 |
1.822 |
0.072 |
AlF |
Aluminum monofluoride |
rAlF |
1.654 |
1.727 |
0.072 |
ClCOClCO |
Oxalyl chloride |
rCCl |
1.744 |
1.816 |
0.072 |
CH2BrF |
Methane, bromofluoro- |
rCBr |
1.915 |
1.987 |
0.072 |
ClNO |
Nitrosyl chloride |
rNCl |
1.975 |
2.046 |
0.071 |
CH3CH2SH |
ethanethiol |
rCS |
1.820 |
1.891 |
0.071 |
CH3Cl |
Methyl chloride |
rCCl |
1.785 |
1.856 |
0.071 |
CH3Cl |
Methyl chloride |
rCCl |
1.785 |
1.856 |
0.071 |
CH2ClCH2Cl |
Ethane, 1,2-dichloro- |
rCCl |
1.790 |
1.860 |
0.070 |
CH2ClCH2Cl |
Ethane, 1,2-dichloro- |
rCCl |
1.790 |
1.860 |
0.070 |
CH2CHCH2F |
Allyl Fluoride |
rCF |
1.370 |
1.439 |
0.069 |
CH2CHCH2F |
Allyl Fluoride |
rCF |
1.370 |
1.439 |
0.069 |
C6H4Cl2 |
1,3-dichlorobenzene |
rCCl |
1.736 |
1.804 |
0.069 |
CH2Cl2 |
Methylene chloride |
rCCl |
1.767 |
1.835 |
0.068 |
CBrCl3 |
Methane, bromotrichloro- |
rCCl |
1.765 |
1.832 |
0.067 |
C3H6S3 |
1,3,5-Trithiane |
rCS |
1.801 |
1.869 |
0.067 |
NF3 |
Nitrogen trifluoride |
rNF |
1.365 |
1.432 |
0.067 |
CH3SCH3 |
Dimethyl sulfide |
rCS |
1.802 |
1.869 |
0.067 |
B2 |
Boron diatomic |
rBB |
1.590 |
1.657 |
0.067 |
ClOOCl |
Dichlorine dioxide |
rOO |
1.426 |
1.360 |
-0.066 |
BH3PH3 |
borane phosphine |
rBP |
1.937 |
2.003 |
0.066 |
CHCl3 |
Chloroform |
rCCl |
1.762 |
1.828 |
0.066 |
CF |
Fluoromethylidyne |
rCF |
1.276 |
1.341 |
0.065 |
C2H2+ |
acetylene cation |
rCC |
1.253 |
1.317 |
0.065 |
CCl4 |
Carbon tetrachloride |
rCCl |
1.767 |
1.831 |
0.064 |
GeF+ |
Germanium monofluoride cation |
rFGe |
1.665 |
1.730 |
0.064 |
CF2 |
Difluoromethylene |
rCF |
1.297 |
1.361 |
0.064 |
HNCS |
Isothiocyanic acid |
rCS |
1.567 |
1.630 |
0.064 |
CH2ClCHCHCH3 |
2-Butene, 1-chloro- |
rCCl |
1.807 |
1.871 |
0.064 |
HCCCl |
Chloroacetylene |
rCCl |
1.637 |
1.700 |
0.064 |
Ne2+ |
Neon diatomic cation |
rNeNe |
1.765 |
1.828 |
0.063 |
GeS |
Germanium monosulfide |
rSGe |
2.012 |
2.075 |
0.063 |
C4H8O2 |
Ethyl acetate |
rCO |
1.448 |
1.510 |
0.062 |
CF2CCl2 |
difluorodichloroethylene |
rCCl |
1.706 |
1.767 |
0.061 |
CHSNH2 |
thioformamide |
rCS |
1.626 |
1.687 |
0.061 |
HNCS |
Isothiocyanic acid |
rCS |
1.567 |
1.628 |
0.061 |
CH2ClCCCl |
1,3-dichloropropyne |
rCCl |
1.638 |
1.699 |
0.061 |
SiSe |
Silicon Monoselenide |
rSiSe |
2.058 |
2.119 |
0.061 |
CH3CHNOH |
Acetaldoxime |
rCC |
1.550 |
1.489 |
-0.061 |
NH2SH |
Thiohydroxylamine |
rNS |
1.719 |
1.780 |
0.061 |
NH2SH |
Thiohydroxylamine |
rNS |
1.719 |
1.780 |
0.061 |
NH2SH |
Thiohydroxylamine |
rNS |
1.719 |
1.780 |
0.061 |
NH2SH |
Thiohydroxylamine |
rNS |
1.719 |
1.780 |
0.061 |
CH3OCl |
methyl hypochlorite |
rCO |
1.389 |
1.449 |
0.060 |
NSe |
Nitrogen monoselenide |
rNSe |
1.652 |
1.712 |
0.060 |
FO |
Oxygen monofluoride |
rFO |
1.354 |
1.414 |
0.060 |
CH3SH |
Methanethiol |
rCS |
1.818 |
1.878 |
0.060 |
CH2CHCH2F |
Allyl Fluoride |
rCF |
1.370 |
1.430 |
0.060 |
CH2CHCH2F |
Allyl Fluoride |
rCF |
1.370 |
1.430 |
0.060 |
CH3SH |
Methanethiol |
rCS |
1.818 |
1.878 |
0.060 |
N2H4 |
Hydrazine |
rNN |
1.446 |
1.386 |
-0.060 |
B4H10 |
Tetraborane(10) |
rHB |
1.484 |
1.424 |
-0.060 |
CF3Cl |
Methane, chlorotrifluoro- |
rCCl |
1.752 |
1.811 |
0.059 |
CF3OF |
Trifluoromethylhypofluorite |
rOF |
1.421 |
1.480 |
0.059 |
F2+ |
flourine diatomic cation |
rFF |
1.322 |
1.380 |
0.058 |
BF |
Boron monofluoride |
rBF |
1.267 |
1.324 |
0.058 |
CH2CHCH2F |
Allyl Fluoride |
rCF |
1.382 |
1.439 |
0.057 |
CH2CHCH2F |
Allyl Fluoride |
rCF |
1.382 |
1.439 |
0.057 |
C2H5Br |
Ethyl bromide |
rCBr |
1.950 |
2.007 |
0.057 |
KOH |
Potassium hydroxide |
rOH |
0.912 |
0.969 |
0.057 |
B2 |
Boron diatomic |
rBB |
1.590 |
1.533 |
-0.057 |
PN |
Phosphorus mononitride |
rPN |
1.491 |
1.548 |
0.057 |
CH3CSNH2 |
Ethanethioamide |
rCS |
1.647 |
1.704 |
0.057 |
AsF |
Arsenic monofluoride |
rFAs |
1.736 |
1.793 |
0.057 |
SeF4 |
Selenium tetrafluoride |
rFSe |
1.771 |
1.827 |
0.056 |
CH2ClCHO |
chloroacetaldehyde |
rCCl |
1.782 |
1.838 |
0.056 |
FCO |
Carbonyl fluoride |
rCF |
1.326 |
1.382 |
0.056 |
CH3CHS |
Thioacetaldehyde |
rCS |
1.610 |
1.666 |
0.056 |
GeF4 |
Germanium tetrafluoride |
rFGe |
1.670 |
1.725 |
0.055 |
SiH |
Silylidyne |
rSiH |
1.520 |
1.575 |
0.055 |
SiH |
Silylidyne |
rSiH |
1.520 |
1.575 |
0.055 |
CH3CH2SH |
ethanethiol |
rSH |
1.322 |
1.377 |
0.055 |
CH3CH2SH |
ethanethiol |
rSH |
1.322 |
1.377 |
0.055 |
HCF |
Fluoromethylene |
rCF |
1.305 |
1.360 |
0.055 |
AsF |
Arsenic monofluoride |
rFAs |
1.736 |
1.790 |
0.054 |
CH3CH2SH |
ethanethiol |
rSH |
1.322 |
1.376 |
0.054 |
CH3CH2SH |
ethanethiol |
rSH |
1.322 |
1.376 |
0.054 |
CH3Br |
methyl bromide |
rCBr |
1.934 |
1.988 |
0.054 |
SiH+ |
silicon monohydride cation |
rSiH |
1.504 |
1.557 |
0.053 |
CH2CS |
Thioketene |
rCS |
1.554 |
1.607 |
0.053 |
C2H4O |
Ethylene oxide |
rCO |
1.425 |
1.478 |
0.053 |
B4H10 |
Tetraborane(10) |
rHB |
1.315 |
1.262 |
-0.053 |
BBr |
Boron monobromide |
rBBr |
1.888 |
1.941 |
0.053 |
CH3SSH |
Hydrogen methyl disulfide |
rCS |
1.823 |
1.875 |
0.052 |
HCCl |
Chloromethylene |
rCCl |
1.696 |
1.748 |
0.052 |
AlF3 |
Aluminum trifluoride |
rAlF |
1.630 |
1.681 |
0.051 |
GaBr |
Gallium monobromide |
rGaBr |
2.352 |
2.403 |
0.051 |
H2O3 |
Hydrogen trioxide |
rOO |
1.428 |
1.478 |
0.050 |
PH |
phosphorus monohydride |
rPH |
1.418 |
1.468 |
0.050 |
SiC |
silicon monocarbide |
rCSi |
1.722 |
1.772 |
0.050 |
374 molecules.