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	hartrees
Energy at 0K	-95.316388
Energy at 298.15K
HF Energy	-95.316388
Nuclear repulsion energy	32.639328

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'	898	863	60.28	18.56	0.35	0.52
2	A'	499	479	15.85	20.74	0.27	0.43
3	A'	280	270	8.73	15.59	0.68	0.81

Atom	x (Å)	y (Å)
O1	1.628	0.800
S2	0.000	0.782
S3	-0.814	-1.182

	O1	S2	S3
O1		1.6282	3.1450
S2	1.6282		2.1256
S3	3.1450	2.1256

Number	Element	Mulliken
1	O	-0.475
2	S	0.550
3	S	-0.075

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

using model chemistry: B3LYP/LANL2DZ

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
	-1.976	0.808	0.000	2.134
CHELPG
AIM
ESP

	x	y	z
x	5.945	3.739	0.000
y	3.739	7.302	0.000
z	0.000	0.000	1.336

<r²>	61.979
(<r²>)^1/2	7.873