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	hartrees
Energy at 0K	-871.512027
Energy at 298.15K
HF Energy	-871.512027
Nuclear repulsion energy	140.191586

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'	1196	1196	189.62	25.05	0.42	0.59
2	A'	715	715	51.03	41.61	0.12	0.22
3	A'	378	378	9.60	4.65	0.49	0.66

Atom	x (Å)	y (Å)
O1	1.482	0.774
S2	0.000	0.683
S3	-0.741	-1.071

	O1	S2	S3
O1		1.4852	2.8892
S2	1.4852		1.9042
S3	2.8892	1.9042

Number	Element	Mulliken
1	O	-0.567
2	S	0.728
3	S	-0.161

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

using model chemistry: M06-2X/daug-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	Total
	-1.646	0.293	0.000	1.672
CHELPG
AIM
ESP

	x	y	z
x	7.361	2.202	0.000
y	2.202	8.106	0.000
z	0.000	0.000	4.666

<r²>	76.605
(<r²>)^1/2	8.752