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	hartrees
Energy at 0K	-797.618217
Energy at 298.15K	-797.620261
HF Energy	-797.618217
Nuclear repulsion energy	83.212963

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	2612	2534	5.47
2	A	868	842	0.03
3	A	491	476	0.15
4	A	412	400	15.56
5	B	2615	2536	10.12
6	B	871	845	4.56

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	1.053	-0.056
S2	0.000	-1.053	-0.056
H3	0.964	1.245	0.889
H4	-0.964	-1.245	0.889

	S1	S2	H3	H4
S1		2.1070	1.3635	2.6653
S2	2.1070		2.6653	1.3635
H3	1.3635	2.6653		3.1488
H4	2.6653	1.3635	3.1488

Number	Element	Mulliken
1	S	-0.096
2	S	-0.096
3	H	0.096
4	H	0.096

All results from a given calculation for H₂S₂ (Disulfane)

using model chemistry: B3LYP/cc-pVDZ

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	3.600	0.541	0.000
y	0.541	6.706	0.000
z	0.000	0.000	3.533

<r²>	58.661
(<r²>)^1/2	7.659

All results from a given calculation for H2S2 (Disulfane)

using model chemistry: B3LYP/cc-pVDZ

States and conformations

All results from a given calculation for H₂S₂ (Disulfane)