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	hartrees
Energy at 0K	-871.559850
Energy at 298.15K
HF Energy	-871.559850
Nuclear repulsion energy	139.183907

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'	1150	1103	127.19	16.37	0.40	0.57
2	A'	671	643	43.20	25.17	0.26	0.41
3	A'	371	356	10.93	8.22	0.64	0.78

Atom	x (Å)	y (Å)
O1	1.485	0.815
S2	0.000	0.680
S3	-0.743	-1.088

	O1	S2	S3
O1		1.4912	2.9295
S2	1.4912		1.9178
S3	2.9295	1.9178

Number	Element	Mulliken
1	O	-0.412
2	S	0.555
3	S	-0.142

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

using model chemistry: TPSSh/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
	-1.267	0.686	0.000	1.441
CHELPG
AIM
ESP

	x	y	z
x	5.442	2.665	0.000
y	2.665	6.916	0.000
z	0.000	0.000	2.620

<r²>	77.575
(<r²>)^1/2	8.808