Species |
Name |
Bond type |
Bond Length (Å) |
Experimental |
Calculated |
Difference |
C4H4N2 |
Succinonitrile |
rCN |
1.161 |
4.872 |
3.711 |
C4H6 |
1-Methylcyclopropene |
rCH |
1.085 |
4.238 |
3.153 |
C3H4N2 |
1H-Pyrazole |
rNN |
1.351 |
4.341 |
2.990 |
C3H4N2 |
1H-Pyrazole |
rCN |
1.332 |
4.049 |
2.717 |
C4H4N2 |
Succinonitrile |
rCN |
1.161 |
3.859 |
2.698 |
Li2 |
Lithium diatomic |
rLiLi |
2.673 |
5.308 |
2.635 |
C4H6 |
1-Methylcyclopropene |
rCH |
1.087 |
3.434 |
2.347 |
C3H4N2 |
1H-Pyrazole |
rCN |
1.360 |
3.283 |
1.923 |
H2SO4 |
Sulfuric acid |
rOH |
0.970 |
2.858 |
1.888 |
C4H8S |
Thiophene, tetrahydro- |
rCC |
1.532 |
3.308 |
1.776 |
C3H4N2 |
1H-Pyrazole |
rNH |
1.002 |
2.774 |
1.772 |
C3H4N2 |
1H-Pyrazole |
rCC |
1.417 |
3.182 |
1.765 |
C4H10O |
Ethanol, 1,1-dimethyl- |
rCH |
1.117 |
2.426 |
1.309 |
C3H4N2 |
1H-Pyrazole |
rCH |
1.083 |
2.133 |
1.050 |
H2ONH3 |
Water Ammonia Dimer |
rNH |
2.983 |
1.968 |
-1.015 |
C3H4N2 |
1H-Pyrazole |
rCC |
1.374 |
2.286 |
0.912 |
C4H6 |
1-Methylcyclopropene |
rCC |
1.476 |
2.272 |
0.796 |
S4 |
Sulfur tetramer |
rSS |
2.155 |
2.919 |
0.764 |
HSSSH |
trisulfane |
rHS |
1.344 |
2.098 |
0.754 |
HSSSH |
trisulfane |
rHS |
1.344 |
2.098 |
0.754 |
HSSSH |
trisulfane |
rHS |
1.344 |
2.097 |
0.754 |
HSSSH |
trisulfane |
rHS |
1.344 |
2.097 |
0.754 |
C4H6 |
1-Methylcyclopropene |
rCH |
1.087 |
1.841 |
0.754 |
CH3CH2SH |
ethanethiol |
rCH |
1.095 |
1.843 |
0.748 |
CH3CH2SH |
ethanethiol |
rCH |
1.095 |
1.842 |
0.747 |
CH3CH2SH |
ethanethiol |
rCH |
1.095 |
1.839 |
0.744 |
C4H10O |
Ethanol, 1,1-dimethyl- |
rCO |
1.446 |
2.180 |
0.734 |
C4H8S |
Thiophene, tetrahydro- |
rCH |
1.117 |
1.850 |
0.733 |
C4H6 |
1-Methylcyclopropene |
rCH |
1.098 |
1.789 |
0.691 |
C4H6 |
1-Methylcyclopropene |
rCH |
1.098 |
1.770 |
0.672 |
Na2Cl2 |
Disodium dichloride |
rNaCl |
2.584 |
3.232 |
0.648 |
Ne2 |
Neon diatomic |
rNeNe |
3.100 |
2.585 |
-0.515 |
S4 |
Sulfur tetramer |
rSS |
2.155 |
2.664 |
0.509 |
S4 |
Sulfur tetramer |
rSS |
2.155 |
2.664 |
0.509 |
HCP+ |
Phosphaethyne cation |
rCP |
1.601 |
1.095 |
-0.507 |
CH3SO2NH2 |
methanesulfonamide |
rCN |
1.207 |
1.711 |
0.504 |
CH3SO2NH2 |
methanesulfonamide |
rCN |
1.207 |
1.711 |
0.504 |
C4H4N2 |
Succinonitrile |
rCC |
1.561 |
1.100 |
-0.461 |
C4H4N2 |
Succinonitrile |
rCC |
1.561 |
1.100 |
-0.461 |
C4H6 |
1-Methylcyclopropene |
rCH |
1.070 |
1.515 |
0.445 |
Be2 |
Beryllium diatomic |
rBeBe |
2.460 |
2.023 |
-0.437 |
Be2 |
Beryllium diatomic |
rBeBe |
2.460 |
2.023 |
-0.437 |
CH3CH2SH |
ethanethiol |
rCH |
1.089 |
1.525 |
0.436 |
CH3CH2SH |
ethanethiol |
rCH |
1.089 |
1.525 |
0.436 |
CH3CH2SH |
ethanethiol |
rCH |
1.089 |
1.524 |
0.435 |
CH3CH2SH |
ethanethiol |
rCH |
1.092 |
1.525 |
0.433 |
CH3CH2SH |
ethanethiol |
rCH |
1.092 |
1.525 |
0.433 |
CH3CH2SH |
ethanethiol |
rCH |
1.092 |
1.524 |
0.432 |
C4H10O |
Methyl propyl ether |
rCC |
1.530 |
1.102 |
-0.428 |
C4H10O |
Methyl propyl ether |
rCC |
1.530 |
1.102 |
-0.428 |
C(CH3)3NH2 |
2-Propanamine, 2-methyl- |
rNH |
1.048 |
1.476 |
0.428 |
C4H10O |
Methyl propyl ether |
rCC |
1.530 |
1.102 |
-0.428 |
C2H4F2 |
1,2-difluoroethane |
rCH |
1.093 |
1.516 |
0.423 |
C4H4N2 |
Succinonitrile |
rCH |
1.123 |
1.544 |
0.421 |
C4H4N2 |
Succinonitrile |
rCH |
1.123 |
1.543 |
0.420 |
C4H6 |
1-Methylcyclopropene |
rCC |
1.515 |
1.100 |
-0.415 |
C2H4F2 |
1,2-difluoroethane |
rCH |
1.093 |
1.505 |
0.412 |
CH2CHCH2F |
Allyl Fluoride |
rHC |
1.130 |
1.498 |
0.368 |
CH2CHCH2F |
Allyl Fluoride |
rHC |
1.130 |
1.496 |
0.366 |
Al2 |
Aluminum diatomic |
rAlAl |
2.701 |
3.058 |
0.357 |
C4H4N2 |
Succinonitrile |
rCH |
1.111 |
1.468 |
0.357 |
C4H4N2 |
Succinonitrile |
rCH |
1.111 |
1.467 |
0.356 |
C3H3NO |
Isoxazole |
rCH |
1.075 |
1.425 |
0.350 |
GaP |
Gallium monophosphide |
rPGa |
2.450 |
2.103 |
-0.347 |
GaP |
Gallium monophosphide |
rPGa |
2.450 |
2.103 |
-0.347 |
GaP |
Gallium monophosphide |
rPGa |
2.450 |
2.103 |
-0.347 |
GaP |
Gallium monophosphide |
rPGa |
2.450 |
2.103 |
-0.347 |
C3H4N2 |
1H-Pyrazole |
rCH |
1.080 |
1.416 |
0.336 |
C4H8S |
Thiophene, tetrahydro- |
rCS |
1.835 |
2.167 |
0.332 |
Ar2 |
Argon diatomic |
rArAr |
3.758 |
4.085 |
0.327 |
Ar2 |
Argon diatomic |
rArAr |
3.758 |
4.085 |
0.327 |
Al2 |
Aluminum diatomic |
rAlAl |
2.701 |
2.382 |
-0.319 |
CH3CH2SH |
ethanethiol |
rCC |
1.528 |
1.843 |
0.315 |
CH3CH2SH |
ethanethiol |
rCC |
1.528 |
1.842 |
0.314 |
CH3CH2SH |
ethanethiol |
rCC |
1.528 |
1.839 |
0.311 |
C4H10O |
Methyl propyl ether |
rCH |
1.099 |
1.408 |
0.309 |
C4H10O |
Methyl propyl ether |
rCH |
1.099 |
1.408 |
0.309 |
C4H10O |
Methyl propyl ether |
rCH |
1.099 |
1.408 |
0.309 |
Mg2 |
Magnesium diatomic |
rMgMg |
3.891 |
4.196 |
0.306 |
AlP |
Aluminum monophosphide |
rAlP |
2.400 |
2.101 |
-0.299 |
AlP |
Aluminum monophosphide |
rAlP |
2.400 |
2.101 |
-0.299 |
AlP |
Aluminum monophosphide |
rAlP |
2.400 |
2.101 |
-0.299 |
ONNO |
NO dimer |
rNN |
2.236 |
1.940 |
-0.296 |
ONNO |
NO dimer |
rNN |
2.236 |
1.940 |
-0.296 |
ONNO |
NO dimer |
rNN |
2.236 |
1.940 |
-0.296 |
CH3CH2SH |
ethanethiol |
rCS |
1.820 |
1.524 |
-0.296 |
CH3CH2SH |
ethanethiol |
rCS |
1.820 |
1.525 |
-0.295 |
CH3CH2SH |
ethanethiol |
rCS |
1.820 |
1.525 |
-0.295 |
C2H3N3 |
1H-1,2,4-Triazole |
rCH |
1.054 |
1.331 |
0.277 |
Al2Cl6 |
Aluminum, di-μ-chlorotetrachlorodi- |
rAlCl |
2.040 |
2.311 |
0.271 |
C3H4N2 |
1H-Pyrazole |
rCH |
1.082 |
1.347 |
0.265 |
S4 |
Sulfur tetramer |
rSS |
1.898 |
2.159 |
0.261 |
C2H2+ |
acetylene cation |
rCH |
1.077 |
1.327 |
0.251 |
C2H2+ |
acetylene cation |
rCH |
1.077 |
1.327 |
0.251 |
Ar2+ |
Argon diatomic cation |
rArAr |
2.320 |
2.548 |
0.228 |
Ar2+ |
Argon diatomic cation |
rArAr |
2.320 |
2.548 |
0.228 |
Si2H2 |
disilyne |
rSiSi |
2.215 |
1.991 |
-0.224 |
ZnS |
Zinc sulfide |
rSZn |
2.046 |
2.266 |
0.220 |
C4H6 |
1-Methylcyclopropene |
rCC |
1.300 |
1.516 |
0.216 |
S3 |
Sulfur trimer |
rSS |
1.917 |
2.121 |
0.204 |
Si2H2 |
disilyne |
rSiH |
1.668 |
1.467 |
-0.201 |
B2 |
Boron diatomic |
rBB |
1.590 |
1.392 |
-0.198 |
GaP |
Gallium monophosphide |
rPGa |
2.450 |
2.258 |
-0.192 |
GaP |
Gallium monophosphide |
rPGa |
2.450 |
2.258 |
-0.192 |
GaP |
Gallium monophosphide |
rPGa |
2.450 |
2.258 |
-0.192 |
GaP |
Gallium monophosphide |
rPGa |
2.450 |
2.258 |
-0.192 |
GaP |
Gallium monophosphide |
rPGa |
2.450 |
2.258 |
-0.192 |
GaP |
Gallium monophosphide |
rPGa |
2.450 |
2.258 |
-0.192 |
GaP |
Gallium monophosphide |
rPGa |
2.450 |
2.258 |
-0.192 |
GaP |
Gallium monophosphide |
rPGa |
2.450 |
2.258 |
-0.192 |
ClF3 |
Chlorine trifluoride |
rFCl |
1.597 |
1.787 |
0.190 |
ClF3 |
Chlorine trifluoride |
rFCl |
1.597 |
1.787 |
0.190 |
ClF3 |
Chlorine trifluoride |
rFCl |
1.597 |
1.787 |
0.190 |
ClF3 |
Chlorine trifluoride |
rFCl |
1.597 |
1.787 |
0.190 |
Al2 |
Aluminum diatomic |
rAlAl |
2.701 |
2.511 |
-0.190 |
ONNO |
NO dimer |
rNN |
2.236 |
2.054 |
-0.182 |
Si2H2 |
disilyne |
rSiH |
1.668 |
1.498 |
-0.170 |
CHF2CHF2 |
1,1,2,2-tetrafluoroethane |
rCF |
1.359 |
1.523 |
0.164 |
CHF2CHF2 |
1,1,2,2-tetrafluoroethane |
rCF |
1.359 |
1.520 |
0.161 |
AlP |
Aluminum monophosphide |
rAlP |
2.260 |
2.101 |
-0.159 |
AlP |
Aluminum monophosphide |
rAlP |
2.260 |
2.101 |
-0.159 |
AlP |
Aluminum monophosphide |
rAlP |
2.260 |
2.101 |
-0.159 |
Si2 |
Silicon diatomic |
rSiSi |
2.246 |
2.089 |
-0.157 |
GaP |
Gallium monophosphide |
rPGa |
2.110 |
2.258 |
0.148 |
GaP |
Gallium monophosphide |
rPGa |
2.110 |
2.258 |
0.148 |
GaP |
Gallium monophosphide |
rPGa |
2.110 |
2.258 |
0.148 |
GaP |
Gallium monophosphide |
rPGa |
2.110 |
2.258 |
0.148 |
GaP |
Gallium monophosphide |
rPGa |
2.110 |
2.258 |
0.148 |
GaP |
Gallium monophosphide |
rPGa |
2.110 |
2.258 |
0.148 |
GaP |
Gallium monophosphide |
rPGa |
2.110 |
2.258 |
0.148 |
GaP |
Gallium monophosphide |
rPGa |
2.110 |
2.258 |
0.148 |
GaP |
Gallium monophosphide |
rPGa |
2.250 |
2.103 |
-0.147 |
GaP |
Gallium monophosphide |
rPGa |
2.250 |
2.103 |
-0.147 |
GaP |
Gallium monophosphide |
rPGa |
2.250 |
2.103 |
-0.147 |
GaP |
Gallium monophosphide |
rPGa |
2.250 |
2.103 |
-0.147 |
GaP |
Gallium monophosphide |
rPGa |
2.240 |
2.103 |
-0.137 |
GaP |
Gallium monophosphide |
rPGa |
2.240 |
2.103 |
-0.137 |
GaP |
Gallium monophosphide |
rPGa |
2.240 |
2.103 |
-0.137 |
GaP |
Gallium monophosphide |
rPGa |
2.240 |
2.103 |
-0.137 |
Al2Cl6 |
Aluminum, di-μ-chlorotetrachlorodi- |
rAlCl |
2.240 |
2.105 |
-0.135 |
ClOOCl |
Dichlorine dioxide |
rOCl |
1.704 |
1.834 |
0.130 |
ClOOCl |
Dichlorine dioxide |
rOCl |
1.704 |
1.834 |
0.130 |
N2 |
Nitrogen diatomic |
rNN |
1.098 |
1.221 |
0.124 |
N2 |
Nitrogen diatomic |
rNN |
1.098 |
1.221 |
0.124 |
NaO |
sodium monoxide |
rONa |
2.052 |
1.932 |
-0.120 |
C6H8 |
1,3-Cyclohexadiene |
rCC |
1.349 |
1.469 |
0.120 |
AlP |
Aluminum monophosphide |
rAlP |
2.220 |
2.101 |
-0.119 |
AlP |
Aluminum monophosphide |
rAlP |
2.220 |
2.101 |
-0.119 |
AlP |
Aluminum monophosphide |
rAlP |
2.220 |
2.101 |
-0.119 |
ClFO3 |
Perchloryl fluoride |
rFCl |
1.598 |
1.715 |
0.117 |
CH3COCH3 |
Acetone |
rCO |
1.214 |
1.330 |
0.116 |
C2H4 |
Ethylene |
rCC |
1.339 |
1.455 |
0.116 |
C6H12O |
hexanal |
rCC |
1.420 |
1.529 |
0.109 |
C2H4O3 |
trioxolane124 |
rCN |
1.303 |
1.412 |
0.109 |
AlN |
Aluminum nitride |
rNAl |
1.786 |
1.677 |
-0.109 |
ClOOCl |
Dichlorine dioxide |
rOO |
1.426 |
1.318 |
-0.108 |
ClOOCl |
Dichlorine dioxide |
rOO |
1.426 |
1.318 |
-0.108 |
ClOF3 |
Chlorine trifluoride oxide |
rFCl |
1.603 |
1.709 |
0.106 |
ClOF3 |
Chlorine trifluoride oxide |
rFCl |
1.603 |
1.709 |
0.106 |
ClNO2 |
Nitryl chloride |
rNCl |
1.840 |
1.942 |
0.102 |
N2 |
Nitrogen diatomic |
rNN |
1.213 |
1.113 |
-0.100 |
N2 |
Nitrogen diatomic |
rNN |
1.213 |
1.113 |
-0.100 |
N2 |
Nitrogen diatomic |
rNN |
1.213 |
1.113 |
-0.100 |
N2 |
Nitrogen diatomic |
rNN |
1.213 |
1.113 |
-0.100 |
Si2H2 |
disilyne |
rSiSi |
2.215 |
2.119 |
-0.096 |
CO |
Carbon monoxide |
rCO |
1.128 |
1.219 |
0.090 |
ClF3 |
Chlorine trifluoride |
rFCl |
1.697 |
1.787 |
0.090 |
ClF3 |
Chlorine trifluoride |
rFCl |
1.697 |
1.787 |
0.090 |
ClF3 |
Chlorine trifluoride |
rFCl |
1.697 |
1.787 |
0.090 |
ClF3 |
Chlorine trifluoride |
rFCl |
1.697 |
1.787 |
0.090 |
FSN |
Thiazyl fluoride |
rFS |
1.643 |
1.733 |
0.090 |
FSN |
Thiazyl fluoride |
rFS |
1.643 |
1.733 |
0.090 |
HClO4 |
perchloric acid |
rOCl |
1.641 |
1.726 |
0.085 |
C2 |
Carbon diatomic |
rCC |
1.243 |
1.325 |
0.082 |
SOCl2 |
thionyl chloride |
rSCl |
2.076 |
2.156 |
0.080 |
SO2F2 |
Sulfuryl fluoride |
rFS |
1.530 |
1.609 |
0.079 |
Si2H2 |
disilyne |
rSiSi |
2.215 |
2.138 |
-0.077 |
OClO |
Chlorine dioxide |
rClO |
1.470 |
1.544 |
0.074 |
ClS2 |
Sulfur chloride |
rSCl |
2.071 |
2.145 |
0.074 |
BrF5 |
bromine pentafluoride |
rFBr |
1.689 |
1.762 |
0.073 |
SiP |
Silicon monophosphide |
rSiP |
2.078 |
2.005 |
-0.072 |
HClO4 |
perchloric acid |
rOCl |
1.404 |
1.475 |
0.071 |
SiF+ |
silicon monofluoride cation |
rFSi |
1.527 |
1.597 |
0.071 |
C6H12O |
hexanal |
rCC |
1.596 |
1.525 |
-0.071 |
SiF+ |
silicon monofluoride cation |
rFSi |
1.527 |
1.597 |
0.071 |
Si2H2 |
disilyne |
rSiH |
1.668 |
1.737 |
0.069 |
SOF4 |
Sulfur tetrafluoride oxide |
rFS |
1.539 |
1.608 |
0.069 |
SOF4 |
Sulfur tetrafluoride oxide |
rFS |
1.539 |
1.608 |
0.069 |
F2SO |
Thionyl Fluoride |
rFS |
1.585 |
1.655 |
0.069 |
SiF3 |
Silicon trifluoride radical |
rFSi |
1.565 |
1.634 |
0.069 |
SiF3 |
Silicon trifluoride radical |
rFSi |
1.565 |
1.634 |
0.069 |
C2H2+ |
acetylene cation |
rCC |
1.253 |
1.321 |
0.069 |
C2H2+ |
acetylene cation |
rCC |
1.253 |
1.321 |
0.069 |
ClF3 |
Chlorine trifluoride |
rFCl |
1.597 |
1.664 |
0.067 |
ClF3 |
Chlorine trifluoride |
rFCl |
1.597 |
1.664 |
0.067 |
ClF3 |
Chlorine trifluoride |
rFCl |
1.597 |
1.664 |
0.067 |
ClF3 |
Chlorine trifluoride |
rFCl |
1.597 |
1.664 |
0.067 |
H2SO4 |
Sulfuric acid |
rSO |
1.574 |
1.640 |
0.066 |
ScF |
Scandium monofluoride |
rFSc |
1.788 |
1.854 |
0.066 |
C4H8O2 |
Ethyl acetate |
rCO |
1.448 |
1.514 |
0.066 |
C4H8O2 |
Ethyl acetate |
rCO |
1.448 |
1.514 |
0.066 |
PF+ |
phosphorus monofluoride cation |
rFP |
1.500 |
1.566 |
0.066 |
CH3OCl |
methyl hypochlorite |
rOCl |
1.674 |
1.739 |
0.065 |
ClFO3 |
Perchloryl fluoride |
rClO |
1.400 |
1.464 |
0.064 |
BHCl2 |
Borane, dichloro- |
rBH |
1.130 |
1.194 |
0.064 |
SiF2 |
Silicon difluoride |
rFSi |
1.590 |
1.654 |
0.064 |
OPCl |
Phosphorus oxychloride |
rPCl |
2.059 |
2.122 |
0.064 |
OPCl |
Phosphorus oxychloride |
rPCl |
2.059 |
2.122 |
0.064 |
SiF2 |
Silicon difluoride |
rFSi |
1.590 |
1.654 |
0.064 |
SO |
Sulfur monoxide |
rSO |
1.481 |
1.544 |
0.063 |
SO |
Sulfur monoxide |
rSO |
1.481 |
1.544 |
0.063 |
SF4 |
Sulfur tetrafluoride |
rSF |
1.545 |
1.608 |
0.063 |
F3PO |
Phosphoryl fluoride |
rFP |
1.524 |
1.585 |
0.061 |
PO- |
phosphorus monoxide anion |
rOP |
1.540 |
1.601 |
0.061 |
PF3 |
Phosphorus trifluoride |
rFP |
1.561 |
1.622 |
0.061 |
SiH2F2 |
difluorosilane |
rSiF |
1.576 |
1.637 |
0.061 |
SeO3 |
selenium trioxide |
rSeO |
1.688 |
1.627 |
-0.061 |
SeO3 |
selenium trioxide |
rSeO |
1.688 |
1.627 |
-0.061 |
SiF |
silicon monofluoride |
rSiF |
1.604 |
1.665 |
0.061 |
SiF |
silicon monofluoride |
rSiF |
1.604 |
1.665 |
0.061 |
SiHF3 |
trifluorosilane |
rSiF |
1.563 |
1.623 |
0.060 |
SF5Cl |
sulfur chloropentafluoride |
rSCl |
2.030 |
2.090 |
0.060 |
CH2ClCHCl2 |
1,1,2-trichloroethane |
rCC |
1.580 |
1.520 |
-0.060 |
KrF2 |
Krypton difluoride |
rFKr |
1.875 |
1.935 |
0.060 |
SSO |
Disulfur monoxide |
rSS |
1.884 |
1.944 |
0.060 |
SiBr |
Silicon monobromide |
rSiBr |
2.209 |
2.268 |
0.059 |
SiBr |
Silicon monobromide |
rSiBr |
2.209 |
2.268 |
0.059 |
BC |
boron monocarbide |
rBC |
1.491 |
1.432 |
-0.059 |
BrF3 |
Bromine trifluoride |
rFBr |
1.721 |
1.780 |
0.059 |
B4H10 |
Tetraborane(10) |
rHB |
1.484 |
1.425 |
-0.059 |
CFCl |
chlorofluoromethylene |
rCCl |
1.714 |
1.773 |
0.059 |
CFCl |
chlorofluoromethylene |
rCCl |
1.714 |
1.773 |
0.059 |
ClOF3 |
Chlorine trifluoride oxide |
rFCl |
1.713 |
1.772 |
0.059 |
ClOF3 |
Chlorine trifluoride oxide |
rFCl |
1.713 |
1.772 |
0.059 |
ClSSCl |
Disulfur dichloride |
rSCl |
2.057 |
2.115 |
0.058 |
CH3SiFH2 |
fluoromethylsilane |
rSiF |
1.597 |
1.655 |
0.058 |
BeCl2 |
Beryllium chloride |
rBeCl |
1.750 |
1.808 |
0.058 |
AlCl |
Aluminum monochloride |
rAlCl |
2.130 |
2.187 |
0.057 |
PF2 |
Phosphorus difluoride |
rPF |
1.579 |
1.636 |
0.057 |
ClSSCl |
Disulfur dichloride |
rSS |
1.931 |
1.988 |
0.057 |
AlBr |
Aluminum monobromide |
rAlBr |
2.295 |
2.352 |
0.057 |
AlBr |
Aluminum monobromide |
rAlBr |
2.295 |
2.352 |
0.057 |
SO2 |
Sulfur dioxide |
rSO |
1.432 |
1.489 |
0.057 |
SiF4 |
Silicon tetrafluoride |
rSiF |
1.554 |
1.611 |
0.057 |
AsF5 |
Arsenic pentafluoride |
rAsF |
1.656 |
1.713 |
0.057 |
SiH3F |
monofluorosilane |
rSiF |
1.595 |
1.651 |
0.056 |
SSO |
Disulfur monoxide |
rSO |
1.456 |
1.512 |
0.056 |
Cl3PO |
Phosphoryl chloride |
rPCl |
1.989 |
2.045 |
0.056 |
ClNO |
Nitrosyl chloride |
rNCl |
1.975 |
2.031 |
0.056 |
NO3 |
Nitrogen trioxide |
rNO |
1.238 |
1.293 |
0.056 |
SF2 |
sulfur difluoride |
rSF |
1.587 |
1.643 |
0.055 |
CH3CHNOH |
Acetaldoxime |
rCC |
1.550 |
1.495 |
-0.055 |
PF5 |
Phosphorus pentafluoride |
rPF |
1.534 |
1.589 |
0.055 |
HCO |
Formyl radical |
rCH |
1.080 |
1.135 |
0.055 |
ClOF3 |
Chlorine trifluoride oxide |
rOCl |
1.405 |
1.460 |
0.055 |
ClOF3 |
Chlorine trifluoride oxide |
rOCl |
1.405 |
1.460 |
0.055 |
FSSF |
Difluorodisulfane |
rSS |
1.890 |
1.945 |
0.055 |
C2H2CO |
cyclopropenone |
rCC |
1.302 |
1.357 |
0.055 |
PF |
phosphorus monofluoride |
rFP |
1.593 |
1.647 |
0.055 |
B2 |
Boron diatomic |
rBB |
1.590 |
1.535 |
-0.055 |
S2 |
Sulfur diatomic |
rSS |
1.889 |
1.943 |
0.054 |
ClF3 |
Chlorine trifluoride |
rFCl |
1.697 |
1.751 |
0.054 |
ClF3 |
Chlorine trifluoride |
rFCl |
1.697 |
1.751 |
0.054 |
ClF3 |
Chlorine trifluoride |
rFCl |
1.697 |
1.751 |
0.054 |
ClF3 |
Chlorine trifluoride |
rFCl |
1.697 |
1.751 |
0.054 |
SeO |
Selenium monoxide |
rSeO |
1.639 |
1.693 |
0.054 |
SO |
Sulfur monoxide |
rSO |
1.481 |
1.535 |
0.054 |
SO |
Sulfur monoxide |
rSO |
1.481 |
1.535 |
0.054 |
CH3SSH |
Hydrogen methyl disulfide |
rSS |
2.038 |
2.092 |
0.054 |
Li2 |
Lithium diatomic |
rLiLi |
2.673 |
2.727 |
0.054 |
SFCl |
Sulfur chloride fluoride |
rSCl |
1.994 |
2.048 |
0.054 |
SO3 |
Sulfur trioxide |
rSO |
1.418 |
1.471 |
0.053 |
C2H6O2S |
Dimethyl sulfone |
rSO |
1.431 |
1.484 |
0.053 |
C2H6O2S |
Dimethyl sulfone |
rSO |
1.431 |
1.484 |
0.053 |
AlF |
Aluminum monofluoride |
rAlF |
1.654 |
1.707 |
0.053 |
HCCl |
Chloromethylene |
rCCl |
1.696 |
1.643 |
-0.053 |
BrNO |
Nitrosyl bromide |
rNBr |
2.140 |
2.193 |
0.053 |
PF |
phosphorus monofluoride |
rFP |
1.593 |
1.645 |
0.052 |
CH3CHNOH |
Acetaldoxime |
rCC |
1.550 |
1.498 |
-0.052 |
FSSF |
Difluorodisulfane |
rFS |
1.635 |
1.687 |
0.052 |
Cl2 |
Chlorine diatomic |
rClCl |
1.988 |
2.039 |
0.051 |
HSiCl |
Chlorosilylene |
rSiCl |
2.067 |
2.118 |
0.051 |
Cl2+ |
chlorine diatomic cation |
rClCl |
1.892 |
1.942 |
0.051 |
Cl2+ |
chlorine diatomic cation |
rClCl |
1.892 |
1.942 |
0.051 |
NH2SH |
Thiohydroxylamine |
rNS |
1.705 |
1.756 |
0.051 |
NH2SH |
Thiohydroxylamine |
rNS |
1.705 |
1.756 |
0.051 |
NH2SH |
Thiohydroxylamine |
rNS |
1.705 |
1.756 |
0.051 |
NH2SH |
Thiohydroxylamine |
rNS |
1.705 |
1.756 |
0.051 |
HN3 |
hydrogen azide |
rNH |
0.975 |
1.026 |
0.051 |
SCl2 |
Sulfur dichloride |
rSCl |
2.013 |
2.064 |
0.051 |
GaAs |
Gallium arsenide |
rGaAs |
2.530 |
2.581 |
0.051 |
PCl5 |
Phosphorus pentachloride |
rPCl |
2.020 |
2.071 |
0.051 |
HClO4 |
perchloric acid |
rOCl |
1.414 |
1.465 |
0.051 |
SeF4 |
Selenium tetrafluoride |
rFSe |
1.682 |
1.733 |
0.051 |
SOF4 |
Sulfur tetrafluoride oxide |
rFS |
1.596 |
1.646 |
0.050 |
SOF4 |
Sulfur tetrafluoride oxide |
rFS |
1.596 |
1.646 |
0.050 |
SiCl |
Clorosilylidyne |
rSiCl |
2.061 |
2.112 |
0.050 |
SFCl |
Sulfur chloride fluoride |
rFS |
1.606 |
1.656 |
0.050 |
298 molecules.