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	hartrees
Energy at 0K	-871.574354
Energy at 298.15K
HF Energy	-871.574354
Nuclear repulsion energy	142.985843

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A'	1272	1272	205.81	25.78	0.39	0.56
2	A'	746	746	60.25	32.36	0.22	0.36
3	A'	400	400	10.29	6.22	0.60	0.75

Atom	x (Å)	y (Å)
O1	1.442	0.787
S2	0.000	0.667
S3	-0.721	-1.061

	O1	S2	S3
O1		1.4472	2.8450
S2	1.4472		1.8718
S3	2.8450	1.8718

Number	Element	Mulliken
1	O	-0.370
2	S	0.490
3	S	-0.120

All results from a given calculation for SSO (Disulfur monoxide)

using model chemistry: M06-2X/Def2TZVPP

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	Total
	-1.623	0.237	0.000	1.640
CHELPG
AIM
ESP

	x	y	z
x	5.912	2.282	0.000
y	2.282	7.212	0.000
z	0.000	0.000	3.300

<r²>	74.355
(<r²>)^1/2	8.623