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	hartrees
Energy at 0K	-871.555504
Energy at 298.15K
HF Energy	-871.555504
Nuclear repulsion energy	139.119625

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'	1160	1111	130.57	16.97	0.40	0.57
2	A'	667	639	43.43	26.02	0.26	0.42
3	A'	374	358	11.30	8.11	0.64	0.78

Atom	x (Å)	y (Å)
O1	1.481	0.816
S2	0.000	0.683
S3	-0.741	-1.092

	O1	S2	S3
O1		1.4870	2.9283
S2	1.4870		1.9233
S3	2.9283	1.9233

Number	Element	Mulliken
1	O	-0.420
2	S	0.564
3	S	-0.144

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

using model chemistry: B3LYPultrafine/6-31G*

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
	-1.359	0.697	0.000	1.528
CHELPG
AIM
ESP

	x	y	z
x	5.406	2.669	0.000
y	2.669	6.955	0.000
z	0.000	0.000	2.623

<r²>	77.711
(<r²>)^1/2	8.815