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	hartrees
Energy at 0K	-869.847239
Energy at 298.15K
HF Energy	-869.847239
Nuclear repulsion energy	142.615739

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'	1328	1206	268.58	32.33	0.33	0.50
2	A'	776	705	76.10	46.84	0.26	0.41
3	A'	424	385	17.80	6.13	0.67	0.80

Atom	x (Å)	y (Å)
O1	1.445	0.779
S2	0.000	0.673
S3	-0.722	-1.063

	O1	S2	S3
O1		1.4489	2.8444
S2	1.4489		1.8801
S3	2.8444	1.8801

Number	Element	Mulliken
1	O	-0.477
2	S	0.689
3	S	-0.212

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

using model chemistry: HF/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
	-1.791	0.807	0.000	1.965
CHELPG
AIM
ESP

	x	y	z
x	5.150	2.658	0.000
y	2.658	6.586	0.000
z	0.000	0.000	2.457

<r²>	74.923
(<r²>)^1/2	8.656