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	hartrees
Energy at 0K	-871.624971
Energy at 298.15K
HF Energy	-871.624971
Nuclear repulsion energy	142.493712

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'	1257	1257	181.16	22.75	0.40	0.57
2	A'	724	724	58.15	33.02	0.18	0.31
3	A'	399	399	8.85	5.81	0.52	0.69

Atom	x (Å)	y (Å)
O1	1.445	0.793
S2	0.000	0.669
S3	-0.723	-1.066

	O1	S2	S3
O1		1.4506	2.8556
S2	1.4506		1.8794
S3	2.8556	1.8794

Number	Element	Mulliken
1	O	-0.412
2	S	0.543
3	S	-0.132

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

using model chemistry: wB97X-D/cc-pVQZ

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
	-1.445	0.287	0.000	1.473
CHELPG
AIM
ESP

	x	y	z
x	6.435	2.172	0.000
y	2.172	7.573	0.000
z	0.000	0.000	3.939

<r²>	74.678
(<r²>)^1/2	8.642