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	hartrees
Energy at 0K	-867.150765
Energy at 298.15K
HF Energy	-867.150765
Nuclear repulsion energy	125.480271

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'	940	924	49.12	9.91	0.33	0.50
2	A'	441	434	15.04	18.07	0.28	0.44
3	A'	266	261	5.36	12.21	0.64	0.78

Atom	x (Å)	y (Å)
O1	1.616	0.885
S2	0.000	0.783
S3	-0.808	-1.225

	O1	S2	S3
O1		1.6197	3.2145
S2	1.6197		2.1644
S3	3.2145	2.1644

Number	Element	Mulliken
1	O	-0.391
2	S	0.540
3	S	-0.149

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

using model chemistry: B97D3/3-21G

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
	-0.828	1.335	0.000	1.571
CHELPG
AIM
ESP

	x	y	z
x	5.383	3.403	0.000
y	3.403	7.483	0.000
z	0.000	0.000	1.865

<r²>	91.524
(<r²>)^1/2	9.567