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	hartrees
Energy at 0K	-797.305796
Energy at 298.15K	-797.307867
HF Energy	-797.216828
Nuclear repulsion energy	83.675303

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	2693	2693	3.22
2	A	896	896	0.61
3	A	491	491	0.03
4	A	428	428	18.90
5	B	2695	2695	5.77
6	B	893	893	10.42

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	1.050	-0.055
S2	0.000	-1.050	-0.055
H3	0.945	1.242	0.882
H4	-0.945	-1.242	0.882

	S1	S2	H3	H4
S1		2.0996	1.3447	2.6499
S2	2.0996		2.6499	1.3447
H3	1.3447	2.6499		3.1211
H4	2.6499	1.3447	3.1211

Number	Element	Mulliken
1	S	-0.082
2	S	-0.082
3	H	0.082
4	H	0.082

All results from a given calculation for H₂S₂ (Disulfane)

using model chemistry: B2PLYP/6-311G**

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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You are here: Calculated > Energy > Optimized > Energy

	x	y	z
x	3.772	0.315	0.000
y	0.315	6.953	0.000
z	0.000	0.000	3.747

<r²>	58.972
(<r²>)^1/2	7.679

All results from a given calculation for H2S2 (Disulfane)

using model chemistry: B2PLYP/6-311G**

States and conformations

All results from a given calculation for H₂S₂ (Disulfane)