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	hartrees
Energy at 0K	-871.564682
Energy at 298.15K
HF Energy	-871.564682
Nuclear repulsion energy	139.092689

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'	1143	1101	169.40	25.73	0.46	0.63
2	A'	664	639	45.49	31.38	0.19	0.32
3	A'	371	358	11.17	7.35	0.63	0.77

Atom	x (Å)	y (Å)
O1	1.484	0.809
S2	0.000	0.684
S3	-0.742	-1.089

	O1	S2	S3
O1		1.4894	2.9258
S2	1.4894		1.9225
S3	2.9258	1.9225

Number	Element	Mulliken
1	O	-0.399
2	S	0.461
3	S	-0.062

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

using model chemistry: B3LYPultrafine/6-31+G**

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
	-1.689	0.444	0.000	1.746
CHELPG
AIM
ESP

	x	y	z
x	6.653	2.704	0.000
y	2.704	7.789	0.000
z	0.000	0.000	3.380

<r²>	78.062
(<r²>)^1/2	8.835