Species |
Name |
Bond type |
Bond Length (Å) |
Experimental |
Calculated |
Difference |
C4H6 |
1-Methylcyclopropene |
rCH |
1.085 |
4.255 |
3.170 |
C4H6 |
1-Methylcyclopropene |
rCH |
1.087 |
3.442 |
2.355 |
Be2 |
Beryllium diatomic |
rBeBe |
2.460 |
4.239 |
1.779 |
C2H4O3 |
trioxolane124 |
rCN |
1.303 |
2.184 |
0.881 |
C4H6 |
1-Methylcyclopropene |
rCC |
1.476 |
2.275 |
0.799 |
C4H6 |
1-Methylcyclopropene |
rCH |
1.087 |
1.847 |
0.760 |
HSSSH |
trisulfane |
rHS |
1.344 |
2.089 |
0.746 |
HSSSH |
trisulfane |
rHS |
1.344 |
2.089 |
0.746 |
HSSSH |
trisulfane |
rHS |
1.344 |
2.089 |
0.745 |
HSSSH |
trisulfane |
rHS |
1.344 |
2.089 |
0.745 |
S4 |
Sulfur tetramer |
rSS |
2.155 |
2.900 |
0.745 |
Mg2 |
Magnesium diatomic |
rMgMg |
3.891 |
4.634 |
0.743 |
Mg2 |
Magnesium diatomic |
rMgMg |
3.891 |
4.634 |
0.743 |
CH3CH2SH |
ethanethiol |
rCH |
1.095 |
1.834 |
0.739 |
CH3CH2SH |
ethanethiol |
rCH |
1.095 |
1.834 |
0.739 |
CH3CH2SH |
ethanethiol |
rCH |
1.095 |
1.831 |
0.736 |
C4H6 |
1-Methylcyclopropene |
rCH |
1.098 |
1.793 |
0.695 |
C4H6 |
1-Methylcyclopropene |
rCH |
1.098 |
1.776 |
0.678 |
S4 |
Sulfur tetramer |
rSS |
2.155 |
2.748 |
0.593 |
S4 |
Sulfur tetramer |
rSS |
2.155 |
2.747 |
0.592 |
CH3SO2NH2 |
methanesulfonamide |
rCN |
1.207 |
1.705 |
0.498 |
C4H4N2 |
Succinonitrile |
rCC |
1.561 |
1.102 |
-0.459 |
C4H6 |
1-Methylcyclopropene |
rCH |
1.070 |
1.521 |
0.451 |
CH3CH2SH |
ethanethiol |
rCH |
1.089 |
1.529 |
0.440 |
CH3CH2SH |
ethanethiol |
rCH |
1.089 |
1.529 |
0.440 |
CH3CH2SH |
ethanethiol |
rCH |
1.089 |
1.526 |
0.437 |
CH3CH2SH |
ethanethiol |
rCH |
1.092 |
1.529 |
0.437 |
CH3CH2SH |
ethanethiol |
rCH |
1.092 |
1.529 |
0.437 |
CH3CH2SH |
ethanethiol |
rCH |
1.092 |
1.526 |
0.434 |
C4H10O |
Methyl propyl ether |
rCC |
1.530 |
1.104 |
-0.426 |
C2H4F2 |
1,2-difluoroethane |
rCH |
1.093 |
1.518 |
0.425 |
C2H4F2 |
1,2-difluoroethane |
rCH |
1.093 |
1.518 |
0.425 |
C4H4N2 |
Succinonitrile |
rCH |
1.123 |
1.544 |
0.421 |
Be2 |
Beryllium diatomic |
rBeBe |
2.460 |
2.041 |
-0.419 |
Be2 |
Beryllium diatomic |
rBeBe |
2.460 |
2.041 |
-0.419 |
C2H4F2 |
1,2-difluoroethane |
rCH |
1.093 |
1.508 |
0.415 |
C2H4F2 |
1,2-difluoroethane |
rCH |
1.093 |
1.508 |
0.415 |
C4H6 |
1-Methylcyclopropene |
rCC |
1.515 |
1.102 |
-0.413 |
GaP |
Gallium monophosphide |
rPGa |
2.450 |
2.073 |
-0.377 |
GaP |
Gallium monophosphide |
rPGa |
2.450 |
2.073 |
-0.377 |
GaP |
Gallium monophosphide |
rPGa |
2.450 |
2.073 |
-0.377 |
GaP |
Gallium monophosphide |
rPGa |
2.450 |
2.073 |
-0.377 |
CH2CHCH2F |
Allyl Fluoride |
rHC |
1.130 |
1.501 |
0.371 |
CH2CHCH2F |
Allyl Fluoride |
rHC |
1.130 |
1.499 |
0.369 |
C4H4N2 |
Succinonitrile |
rCH |
1.111 |
1.471 |
0.360 |
Ne2 |
Neon diatomic |
rNeNe |
3.100 |
2.741 |
-0.359 |
Ar2 |
Argon diatomic |
rArAr |
3.758 |
4.114 |
0.356 |
C3H3NO |
Isoxazole |
rCH |
1.075 |
1.424 |
0.349 |
Al2 |
Aluminum diatomic |
rAlAl |
2.701 |
3.040 |
0.339 |
AlP |
Aluminum monophosphide |
rAlP |
2.400 |
2.075 |
-0.325 |
AlP |
Aluminum monophosphide |
rAlP |
2.400 |
2.075 |
-0.325 |
AlP |
Aluminum monophosphide |
rAlP |
2.400 |
2.075 |
-0.325 |
C4H10O |
Methyl propyl ether |
rCH |
1.099 |
1.411 |
0.312 |
CH3CH2SH |
ethanethiol |
rCC |
1.528 |
1.834 |
0.306 |
CH3CH2SH |
ethanethiol |
rCC |
1.528 |
1.834 |
0.306 |
CH3CH2SH |
ethanethiol |
rCC |
1.528 |
1.831 |
0.303 |
CH3CH2SH |
ethanethiol |
rCS |
1.820 |
1.526 |
-0.294 |
CH3CH2SH |
ethanethiol |
rCS |
1.820 |
1.529 |
-0.291 |
CH3CH2SH |
ethanethiol |
rCS |
1.820 |
1.529 |
-0.291 |
FOO |
Dioxygen monofluoride radical |
rFO |
1.649 |
1.378 |
-0.271 |
Al2Cl6 |
Aluminum, di-μ-chlorotetrachlorodi- |
rAlCl |
2.040 |
2.307 |
0.267 |
S4 |
Sulfur tetramer |
rSS |
1.898 |
2.149 |
0.251 |
C2H2+ |
acetylene cation |
rCH |
1.077 |
1.318 |
0.241 |
C4H6 |
1-Methylcyclopropene |
rCC |
1.300 |
1.522 |
0.222 |
GaP |
Gallium monophosphide |
rPGa |
2.450 |
2.241 |
-0.209 |
GaP |
Gallium monophosphide |
rPGa |
2.450 |
2.241 |
-0.209 |
GaP |
Gallium monophosphide |
rPGa |
2.450 |
2.241 |
-0.209 |
GaP |
Gallium monophosphide |
rPGa |
2.450 |
2.241 |
-0.209 |
Si2H2 |
disilyne |
rSiSi |
2.215 |
2.008 |
-0.207 |
Si2H2 |
disilyne |
rSiH |
1.668 |
1.466 |
-0.202 |
S3 |
Sulfur trimer |
rSS |
1.917 |
2.116 |
0.199 |
Al2 |
Aluminum diatomic |
rAlAl |
2.701 |
2.503 |
-0.198 |
Al2 |
Aluminum diatomic |
rAlAl |
2.701 |
2.503 |
-0.198 |
ClF3 |
Chlorine trifluoride |
rFCl |
1.597 |
1.788 |
0.192 |
ClF3 |
Chlorine trifluoride |
rFCl |
1.597 |
1.788 |
0.192 |
AlP |
Aluminum monophosphide |
rAlP |
2.260 |
2.075 |
-0.185 |
AlP |
Aluminum monophosphide |
rAlP |
2.260 |
2.075 |
-0.185 |
AlP |
Aluminum monophosphide |
rAlP |
2.260 |
2.075 |
-0.185 |
B2 |
Boron diatomic |
rBB |
1.590 |
1.409 |
-0.181 |
Ar2+ |
Argon diatomic cation |
rArAr |
2.320 |
2.500 |
0.180 |
GaP |
Gallium monophosphide |
rPGa |
2.250 |
2.073 |
-0.177 |
GaP |
Gallium monophosphide |
rPGa |
2.250 |
2.073 |
-0.177 |
GaP |
Gallium monophosphide |
rPGa |
2.250 |
2.073 |
-0.177 |
GaP |
Gallium monophosphide |
rPGa |
2.250 |
2.073 |
-0.177 |
Si2H2 |
disilyne |
rSiH |
1.668 |
1.494 |
-0.174 |
AlP |
Aluminum monophosphide |
rAlP |
2.400 |
2.228 |
-0.172 |
AlP |
Aluminum monophosphide |
rAlP |
2.400 |
2.228 |
-0.172 |
AlP |
Aluminum monophosphide |
rAlP |
2.400 |
2.228 |
-0.172 |
AlP |
Aluminum monophosphide |
rAlP |
2.400 |
2.228 |
-0.172 |
AlP |
Aluminum monophosphide |
rAlP |
2.400 |
2.228 |
-0.172 |
AlP |
Aluminum monophosphide |
rAlP |
2.400 |
2.228 |
-0.172 |
GaP |
Gallium monophosphide |
rPGa |
2.240 |
2.073 |
-0.167 |
GaP |
Gallium monophosphide |
rPGa |
2.240 |
2.073 |
-0.167 |
GaP |
Gallium monophosphide |
rPGa |
2.240 |
2.073 |
-0.167 |
GaP |
Gallium monophosphide |
rPGa |
2.240 |
2.073 |
-0.167 |
CHF2CHF2 |
1,1,2,2-tetrafluoroethane |
rCF |
1.359 |
1.520 |
0.161 |
NO3 |
Nitrogen trioxide |
rNO |
1.238 |
1.389 |
0.152 |
Si2 |
Silicon diatomic |
rSiSi |
2.246 |
2.097 |
-0.149 |
FO |
Oxygen monofluoride |
rFO |
1.354 |
1.501 |
0.147 |
AlP |
Aluminum monophosphide |
rAlP |
2.220 |
2.075 |
-0.145 |
AlP |
Aluminum monophosphide |
rAlP |
2.220 |
2.075 |
-0.145 |
AlP |
Aluminum monophosphide |
rAlP |
2.220 |
2.075 |
-0.145 |
Al2Cl6 |
Aluminum, di-μ-chlorotetrachlorodi- |
rAlCl |
2.240 |
2.104 |
-0.136 |
ClNO2 |
Nitryl chloride |
rNCl |
1.840 |
1.975 |
0.135 |
N2 |
Nitrogen diatomic |
rNN |
1.098 |
1.230 |
0.133 |
N2 |
Nitrogen diatomic |
rNN |
1.098 |
1.230 |
0.133 |
PCl5 |
Phosphorus pentachloride |
rPCl |
2.020 |
2.152 |
0.132 |
GaP |
Gallium monophosphide |
rPGa |
2.110 |
2.241 |
0.131 |
GaP |
Gallium monophosphide |
rPGa |
2.110 |
2.241 |
0.131 |
GaP |
Gallium monophosphide |
rPGa |
2.110 |
2.241 |
0.131 |
GaP |
Gallium monophosphide |
rPGa |
2.110 |
2.241 |
0.131 |
AlN |
Aluminum nitride |
rNAl |
1.786 |
1.658 |
-0.129 |
Na2 |
Sodium diatomic |
rNaNa |
3.079 |
3.205 |
0.126 |
Na2 |
Sodium diatomic |
rNaNa |
3.079 |
3.205 |
0.126 |
ClFO3 |
Perchloryl fluoride |
rFCl |
1.598 |
1.722 |
0.124 |
F2+ |
flourine diatomic cation |
rFF |
1.322 |
1.439 |
0.117 |
F2+ |
flourine diatomic cation |
rFF |
1.322 |
1.439 |
0.117 |
CaO |
Calcium monoxide |
rOCa |
1.822 |
1.937 |
0.115 |
Li2 |
Lithium diatomic |
rLiLi |
2.673 |
2.787 |
0.114 |
Li2 |
Lithium diatomic |
rLiLi |
2.673 |
2.787 |
0.114 |
ClOF3 |
Chlorine trifluoride oxide |
rFCl |
1.603 |
1.714 |
0.111 |
NaLi |
lithium sodium |
rLiNa |
2.889 |
2.996 |
0.107 |
NaLi |
lithium sodium |
rLiNa |
2.889 |
2.995 |
0.106 |
FSN |
Thiazyl fluoride |
rFS |
1.643 |
1.747 |
0.104 |
NaO |
sodium monoxide |
rONa |
2.052 |
1.952 |
-0.100 |
NaO |
sodium monoxide |
rONa |
2.052 |
1.952 |
-0.100 |
BC |
boron monocarbide |
rBC |
1.491 |
1.391 |
-0.100 |
VO |
Vanadium monoxide |
rVO |
1.589 |
1.493 |
-0.097 |
Si2H2 |
disilyne |
rSiSi |
2.215 |
2.119 |
-0.097 |
BrNO |
Nitrosyl bromide |
rNBr |
2.140 |
2.233 |
0.093 |
C2 |
Carbon diatomic |
rCC |
1.243 |
1.335 |
0.093 |
C2 |
Carbon diatomic |
rCC |
1.243 |
1.335 |
0.093 |
ClF3 |
Chlorine trifluoride |
rFCl |
1.697 |
1.788 |
0.092 |
ClF3 |
Chlorine trifluoride |
rFCl |
1.697 |
1.788 |
0.092 |
ClNO |
Nitrosyl chloride |
rNCl |
1.975 |
2.064 |
0.089 |
ClNO |
Nitrosyl chloride |
rNCl |
1.975 |
2.064 |
0.089 |
C2H2+ |
acetylene cation |
rCC |
1.253 |
1.342 |
0.089 |
SO |
Sulfur monoxide |
rSO |
1.481 |
1.568 |
0.086 |
SO |
Sulfur monoxide |
rSO |
1.481 |
1.568 |
0.086 |
SO |
Sulfur monoxide |
rSO |
1.481 |
1.568 |
0.086 |
SO |
Sulfur monoxide |
rSO |
1.481 |
1.568 |
0.086 |
SeO |
Selenium monoxide |
rSeO |
1.639 |
1.726 |
0.086 |
CaBr |
Calcium monobromide |
rCaBr |
2.594 |
2.679 |
0.085 |
ONNO |
NO dimer |
rNN |
2.236 |
2.152 |
-0.084 |
N2 |
Nitrogen diatomic |
rNN |
1.213 |
1.130 |
-0.083 |
N2 |
Nitrogen diatomic |
rNN |
1.213 |
1.130 |
-0.083 |
N2 |
Nitrogen diatomic |
rNN |
1.213 |
1.130 |
-0.083 |
N2 |
Nitrogen diatomic |
rNN |
1.213 |
1.130 |
-0.083 |
N2 |
Nitrogen diatomic |
rNN |
1.213 |
1.130 |
-0.083 |
N2 |
Nitrogen diatomic |
rNN |
1.213 |
1.130 |
-0.083 |
N2 |
Nitrogen diatomic |
rNN |
1.213 |
1.130 |
-0.083 |
N2 |
Nitrogen diatomic |
rNN |
1.213 |
1.130 |
-0.083 |
SO2F2 |
Sulfuryl fluoride |
rFS |
1.530 |
1.609 |
0.079 |
ClOOCl |
Dichlorine dioxide |
rOCl |
1.704 |
1.781 |
0.076 |
CaS |
Calcium sulfide |
rSCa |
2.318 |
2.393 |
0.075 |
HClO4 |
perchloric acid |
rOCl |
1.641 |
1.716 |
0.075 |
SF |
Monosulfur monofluoride |
rSF |
1.599 |
1.673 |
0.074 |
SOCl2 |
thionyl chloride |
rSCl |
2.076 |
2.149 |
0.073 |
SiF+ |
silicon monofluoride cation |
rFSi |
1.527 |
1.597 |
0.071 |
SiF+ |
silicon monofluoride cation |
rFSi |
1.527 |
1.597 |
0.071 |
SeO3 |
selenium trioxide |
rSeO |
1.688 |
1.617 |
-0.071 |
AsN |
Arsenic mononitride |
rNAs |
1.618 |
1.689 |
0.070 |
SiF3 |
Silicon trifluoride radical |
rFSi |
1.565 |
1.635 |
0.070 |
N2O3 |
Dinitrogen trioxide |
rNN |
1.864 |
1.934 |
0.070 |
SiP |
Silicon monophosphide |
rSiP |
2.078 |
2.008 |
-0.069 |
F2SO |
Thionyl Fluoride |
rFS |
1.585 |
1.654 |
0.069 |
S2N2 |
Disulfur dinitride |
rNS |
1.642 |
1.710 |
0.069 |
BrF5 |
bromine pentafluoride |
rFBr |
1.689 |
1.757 |
0.068 |
FNO3 |
Fluorine nitrate |
rNO |
1.507 |
1.575 |
0.068 |
C4H8O2 |
Ethyl acetate |
rCO |
1.448 |
1.516 |
0.068 |
SO |
Sulfur monoxide |
rOS |
1.500 |
1.568 |
0.067 |
SO |
Sulfur monoxide |
rOS |
1.500 |
1.568 |
0.067 |
SO |
Sulfur monoxide |
rOS |
1.500 |
1.568 |
0.067 |
SO |
Sulfur monoxide |
rOS |
1.500 |
1.568 |
0.067 |
SO+ |
sulfur monoxide cation |
rOS |
1.424 |
1.491 |
0.067 |
SO+ |
sulfur monoxide cation |
rOS |
1.424 |
1.491 |
0.067 |
BHCl2 |
Borane, dichloro- |
rBH |
1.130 |
1.196 |
0.066 |
AlN |
Aluminum nitride |
rNAl |
1.786 |
1.852 |
0.066 |
AlN |
Aluminum nitride |
rNAl |
1.786 |
1.852 |
0.066 |
PCl5 |
Phosphorus pentachloride |
rPCl |
2.124 |
2.058 |
-0.066 |
Si2H2 |
disilyne |
rSiSi |
2.215 |
2.150 |
-0.065 |
AlO |
Aluminum monoxide |
rAlO |
1.618 |
1.683 |
0.065 |
AlO |
Aluminum monoxide |
rAlO |
1.618 |
1.683 |
0.065 |
SOF4 |
Sulfur tetrafluoride oxide |
rFS |
1.539 |
1.604 |
0.065 |
S2 |
Sulfur diatomic |
rSS |
1.889 |
1.954 |
0.065 |
SiF2 |
Silicon difluoride |
rFSi |
1.590 |
1.655 |
0.065 |
SiF2 |
Silicon difluoride |
rFSi |
1.590 |
1.655 |
0.065 |
H2SO4 |
Sulfuric acid |
rSO |
1.574 |
1.638 |
0.064 |
ClSSCl |
Disulfur dichloride |
rSS |
1.931 |
1.995 |
0.064 |
SiP |
Silicon monophosphide |
rSiP |
2.078 |
2.014 |
-0.064 |
PS |
phosphorus sulfide |
rPS |
1.900 |
1.837 |
-0.063 |
PS |
phosphorus sulfide |
rPS |
1.900 |
1.837 |
-0.063 |
SiHF3 |
trifluorosilane |
rSiF |
1.563 |
1.626 |
0.063 |
PF+ |
phosphorus monofluoride cation |
rFP |
1.500 |
1.564 |
0.063 |
SiH2F2 |
difluorosilane |
rSiF |
1.576 |
1.639 |
0.063 |
PO- |
phosphorus monoxide anion |
rOP |
1.540 |
1.603 |
0.063 |
F3PO |
Phosphoryl fluoride |
rFP |
1.524 |
1.587 |
0.063 |
SiF |
silicon monofluoride |
rSiF |
1.604 |
1.667 |
0.062 |
SiF |
silicon monofluoride |
rSiF |
1.604 |
1.667 |
0.062 |
LiCl |
lithium chloride |
rLiCl |
2.021 |
2.083 |
0.062 |
LiCl |
lithium chloride |
rLiCl |
2.021 |
2.083 |
0.062 |
SO2 |
Sulfur dioxide |
rSO |
1.432 |
1.494 |
0.062 |
SO2 |
Sulfur dioxide |
rSO |
1.432 |
1.494 |
0.062 |
SSO |
Disulfur monoxide |
rSO |
1.456 |
1.518 |
0.061 |
SSO |
Disulfur monoxide |
rSO |
1.456 |
1.517 |
0.061 |
PF3 |
Phosphorus trifluoride |
rFP |
1.561 |
1.622 |
0.061 |
PO |
Phosphorus monoxide |
rPO |
1.476 |
1.537 |
0.061 |
PO |
Phosphorus monoxide |
rPO |
1.476 |
1.537 |
0.061 |
BeCl2 |
Beryllium chloride |
rBeCl |
1.750 |
1.811 |
0.061 |
ClF3 |
Chlorine trifluoride |
rFCl |
1.597 |
1.657 |
0.061 |
ClF3 |
Chlorine trifluoride |
rFCl |
1.597 |
1.657 |
0.061 |
ClOF3 |
Chlorine trifluoride oxide |
rFCl |
1.713 |
1.773 |
0.060 |
S4 |
Sulfur tetramer |
rSS |
1.898 |
1.958 |
0.060 |
SiF4 |
Silicon tetrafluoride |
rSiF |
1.554 |
1.614 |
0.060 |
S4 |
Sulfur tetramer |
rSS |
1.898 |
1.958 |
0.060 |
B2 |
Boron diatomic |
rBB |
1.590 |
1.650 |
0.060 |
LiBr |
Lithium Bromide |
rLiBr |
2.170 |
2.230 |
0.060 |
LiBr |
Lithium Bromide |
rLiBr |
2.170 |
2.230 |
0.060 |
S2+ |
sulfur diatomic cation |
rSS |
1.825 |
1.885 |
0.060 |
CH3OCl |
methyl hypochlorite |
rOCl |
1.674 |
1.734 |
0.060 |
CaC |
Calcium monocarbide |
rCCa |
2.302 |
2.361 |
0.060 |
Li2O |
dilithium oxide |
rLiO |
1.606 |
1.665 |
0.059 |
Li2O |
dilithium oxide |
rLiO |
1.606 |
1.665 |
0.059 |
Si2H2 |
disilyne |
rSiH |
1.668 |
1.727 |
0.059 |
OClO |
Chlorine dioxide |
rClO |
1.470 |
1.528 |
0.059 |
OClO |
Chlorine dioxide |
rClO |
1.470 |
1.528 |
0.059 |
OClO |
Chlorine dioxide |
rClO |
1.470 |
1.528 |
0.059 |
KrF2 |
Krypton difluoride |
rFKr |
1.875 |
1.933 |
0.058 |
SF4 |
Sulfur tetrafluoride |
rSF |
1.545 |
1.603 |
0.058 |
SF4 |
Sulfur tetrafluoride |
rSF |
1.545 |
1.603 |
0.058 |
SiH3F |
monofluorosilane |
rSiF |
1.595 |
1.653 |
0.058 |
SiH3F |
monofluorosilane |
rSiF |
1.595 |
1.653 |
0.058 |
PN |
Phosphorus mononitride |
rPN |
1.491 |
1.549 |
0.058 |
SSO |
Disulfur monoxide |
rSS |
1.884 |
1.943 |
0.058 |
PN |
Phosphorus mononitride |
rPN |
1.491 |
1.549 |
0.058 |
SSO |
Disulfur monoxide |
rSS |
1.884 |
1.942 |
0.058 |
CaBr2 |
Calcium dibromide |
rCaBr |
2.616 |
2.673 |
0.057 |
PF2 |
Phosphorus difluoride |
rPF |
1.579 |
1.636 |
0.057 |
SO |
Sulfur monoxide |
rSO |
1.481 |
1.538 |
0.057 |
SO |
Sulfur monoxide |
rSO |
1.481 |
1.538 |
0.057 |
SO |
Sulfur monoxide |
rSO |
1.481 |
1.538 |
0.057 |
SO |
Sulfur monoxide |
rSO |
1.481 |
1.538 |
0.057 |
SO |
Sulfur monoxide |
rSO |
1.481 |
1.538 |
0.057 |
SO |
Sulfur monoxide |
rSO |
1.481 |
1.538 |
0.057 |
SO |
Sulfur monoxide |
rSO |
1.481 |
1.538 |
0.057 |
SO |
Sulfur monoxide |
rSO |
1.481 |
1.538 |
0.057 |
PF |
phosphorus monofluoride |
rFP |
1.593 |
1.649 |
0.057 |
CH2ClCHCl2 |
1,1,2-trichloroethane |
rCC |
1.580 |
1.524 |
-0.056 |
LiS |
Lithium monosulfide |
rLiS |
2.150 |
2.206 |
0.056 |
HCO |
Formyl radical |
rCH |
1.080 |
1.136 |
0.056 |
HCO |
Formyl radical |
rCH |
1.080 |
1.136 |
0.056 |
HCO |
Formyl radical |
rCH |
1.080 |
1.136 |
0.056 |
AlF |
Aluminum monofluoride |
rAlF |
1.654 |
1.710 |
0.055 |
AlF |
Aluminum monofluoride |
rAlF |
1.654 |
1.710 |
0.055 |
PF5 |
Phosphorus pentafluoride |
rPF |
1.534 |
1.589 |
0.055 |
PF5 |
Phosphorus pentafluoride |
rPF |
1.534 |
1.589 |
0.055 |
Si2 |
Silicon diatomic |
rSiSi |
2.246 |
2.191 |
-0.055 |
P2 |
Phosphorus diatomic |
rPP |
1.893 |
1.948 |
0.055 |
P2 |
Phosphorus diatomic |
rPP |
1.893 |
1.948 |
0.055 |
C4N2 |
2-Butynedinitrile |
rCN |
1.140 |
1.195 |
0.055 |
SF2 |
sulfur difluoride |
rSF |
1.587 |
1.642 |
0.055 |
SF2 |
sulfur difluoride |
rSF |
1.587 |
1.642 |
0.055 |
AlNC |
Aluminum isocyanide |
rAlN |
1.855 |
1.909 |
0.054 |
OPCl |
Phosphorus oxychloride |
rPCl |
2.059 |
2.112 |
0.054 |
HClO4 |
perchloric acid |
rOCl |
1.404 |
1.458 |
0.054 |
HN3 |
hydrogen azide |
rNH |
0.975 |
1.028 |
0.053 |
B4H10 |
Tetraborane(10) |
rHB |
1.484 |
1.431 |
-0.053 |
HN3 |
hydrogen azide |
rNH |
0.975 |
1.028 |
0.053 |
As2 |
Arsenic diatomic |
rAsAs |
2.103 |
2.156 |
0.053 |
SO3 |
Sulfur trioxide |
rSO |
1.418 |
1.471 |
0.053 |
SO3 |
Sulfur trioxide |
rSO |
1.418 |
1.471 |
0.053 |
NS+ |
nitrogen sulfide cation |
rNS |
1.440 |
1.493 |
0.053 |
BrF3 |
Bromine trifluoride |
rFBr |
1.721 |
1.774 |
0.053 |
AsF5 |
Arsenic pentafluoride |
rAsF |
1.656 |
1.708 |
0.052 |
CH3CHNOH |
Acetaldoxime |
rCC |
1.550 |
1.498 |
-0.052 |
SiBr |
Silicon monobromide |
rSiBr |
2.209 |
2.261 |
0.052 |
C4N2 |
2-Butynedinitrile |
rCC |
1.190 |
1.242 |
0.052 |
SiO |
Silicon monoxide |
rSiO |
1.510 |
1.562 |
0.052 |
BeF |
Beryllium monofluoride |
rBeF |
1.361 |
1.413 |
0.052 |
BeF |
Beryllium monofluoride |
rBeF |
1.361 |
1.413 |
0.052 |
SiO |
Silicon monoxide |
rSiO |
1.510 |
1.562 |
0.052 |
Se2 |
Selenium diatomic |
rSeSe |
2.166 |
2.218 |
0.052 |
NH2SH |
Thiohydroxylamine |
rNS |
1.705 |
1.756 |
0.051 |
NH2SH |
Thiohydroxylamine |
rNS |
1.705 |
1.756 |
0.051 |
CH2SHCH2SH |
1,2-Ethanedithiol |
rSH |
1.400 |
1.349 |
-0.051 |
O2 |
Oxygen diatomic |
rOO |
1.208 |
1.259 |
0.051 |
ClF |
Chlorine monofluoride |
rFCl |
1.628 |
1.679 |
0.051 |
ClF |
Chlorine monofluoride |
rFCl |
1.628 |
1.679 |
0.051 |
FSSF |
Difluorodisulfane |
rSS |
1.890 |
1.941 |
0.051 |
ClS2 |
Sulfur chloride |
rSCl |
2.071 |
2.122 |
0.051 |
PF |
phosphorus monofluoride |
rFP |
1.593 |
1.643 |
0.051 |
SFCl |
Sulfur chloride fluoride |
rFS |
1.606 |
1.656 |
0.050 |
ClF3 |
Chlorine trifluoride |
rFCl |
1.697 |
1.747 |
0.050 |
ClF3 |
Chlorine trifluoride |
rFCl |
1.697 |
1.747 |
0.050 |
HCNO |
fulminic acid |
rCH |
1.027 |
1.077 |
0.050 |
HCNO |
fulminic acid |
rCH |
1.027 |
1.077 |
0.050 |
Cl2O |
Dichlorine monoxide |
rClO |
1.696 |
1.746 |
0.050 |
Cl2+ |
chlorine diatomic cation |
rClCl |
1.892 |
1.942 |
0.050 |
Cl2+ |
chlorine diatomic cation |
rClCl |
1.892 |
1.942 |
0.050 |
299 molecules.