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	hartrees
Energy at 0K	-871.639258
Energy at 298.15K
HF Energy	-871.639258
Nuclear repulsion energy	138.752588

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'	1126	1085	154.15	24.73	0.40	0.57
2	A'	664	640	45.79	25.86	0.26	0.41
3	A'	369	355	10.70	9.43	0.64	0.78

Atom	x (Å)	y (Å)
O1	1.493	0.801
S2	0.000	0.687
S3	-0.746	-1.087

	O1	S2	S3
O1		1.4971	2.9293
S2	1.4971		1.9247
S3	2.9293	1.9247

Number	Element	Mulliken
1	O	-0.312
2	S	0.437
3	S	-0.124

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

using model chemistry: TPSSh/TZVP

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
	-1.567	0.468	0.000	1.635
CHELPG
AIM
ESP

	x	y	z
x	5.846	2.730	0.000
y	2.730	7.168	0.000
z	0.000	0.000	2.567

<r²>	77.901
(<r²>)^1/2	8.826