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	hartrees
Energy at 0K	-867.031148
Energy at 298.15K
HF Energy	-867.031148
Nuclear repulsion energy	128.060907

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	994	955	53.15
2	A'	493	474	16.47
3	A'	285	274	7.36

Atom	x (Å)	y (Å)
O1	1.598	0.837
S2	0.000	0.769
S3	-0.799	-1.187

	O1	S2	S3
O1		1.5997	3.1373
S2	1.5997		2.1125
S3	3.1373	2.1125

Number	Element	Mulliken
1	O	-0.429
2	S	0.583
3	S	-0.155

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

using model chemistry: B3PW91/3-21G

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
	-0.964	1.394	0.000	1.695
CHELPG
AIM
ESP

	x	y	z
x	5.390	3.355	0.000
y	3.355	7.255	0.000
z	0.000	0.000	1.848

<r²>	88.525
(<r²>)^1/2	9.409