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	hartrees
Energy at 0K	-871.389248
Energy at 298.15K
HF Energy	-871.150801
Nuclear repulsion energy	139.901897

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'	1130	1130	123.98	25.94	0.41	0.58
2	A'	666	666	40.21	32.19	0.10	0.18
3	A'	371	371	6.83	5.90	0.45	0.62

Atom	x (Å)	y (Å)
O1	1.476	0.803
S2	0.000	0.681
S3	-0.738	-1.082

	O1	S2	S3
O1		1.4815	2.9081
S2	1.4815		1.9110
S3	2.9081	1.9110

Number	Element	Mulliken
1	O	-0.681
2	S	0.968
3	S	-0.287

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

using model chemistry: B2PLYP=FULLultrafine/daug-cc-pVTZ

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
	-1.482	0.201	0.000	1.495
CHELPG
AIM
ESP

	x	y	z
x	7.486	2.143	-0.002
y	2.143	8.292	-0.001
z	-0.002	-0.001	4.766

<r²>	77.087
(<r²>)^1/2	8.780