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	hartrees
Energy at 0K	-797.493858
Energy at 298.15K	-797.495776
HF Energy	-797.493858
Nuclear repulsion energy	84.378075

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	2658	2531	3.81
2	A	886	843	1.25
3	A	529	504	0.04
4	A	273	260	23.63
5	B	2658	2531	5.51
6	B	872	830	12.85

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	1.039	-0.054
S2	0.000	-1.039	-0.054
H3	0.972	1.232	0.856
H4	-0.972	-1.232	0.856

	S1	S2	H3	H4
S1		2.0781	1.3452	2.6327
S2	2.0781		2.6327	1.3452
H3	1.3452	2.6327		3.1387
H4	2.6327	1.3452	3.1387

Number	Element	Mulliken
1	S	-0.092
2	S	-0.092
3	H	0.092
4	H	0.092

All results from a given calculation for H₂S₂ (Disulfane)

using model chemistry: M06-2X/6-31+G**

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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Calc. vs exp. Bad Vib. HF vs MP2 Bad scale factors Low excited states Oddities NaCN Is not linear FAQ Help Units Choose Units Energy Bond length Rotational Constant Moment of Inertia Dipole and Quadrupole Polarizability Explanations Hartree cm-1 Debye Credits Just show me Show me a calculated geometry Summary Using older interface Limit Basis sets Method options List Recent molecules Choose a few Molecules Number of atoms By heavy atoms Diatomics InChI Deuterated Dimers Geometry Point group Point group count Bonds types Isodesmic reactions Bad point group Multiple conformers, states Vibrations Big anharmonicity Energy Enthalpy at 0 Kelvin Similar molecules Similar Isomers Cis/trans Tautomers Multiple conformers, states Ions, Dipoles, etc. List Ions Ionization changes point group Dipole Quadrupole Polarizability Proton Affinities Index of CCCBDB Feedback Error form Wants
You are here: Calculated > Energy > Optimized > Energy

	x	y	z
x	4.457	0.460	0.000
y	0.460	7.016	0.000
z	0.000	0.000	4.390

<r²>	57.988
(<r²>)^1/2	7.615

All results from a given calculation for H2S2 (Disulfane)

using model chemistry: M06-2X/6-31+G**

States and conformations

All results from a given calculation for H₂S₂ (Disulfane)