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	hartrees
Energy at 0K	-871.192882
Energy at 298.15K
HF Energy	-871.192882
Nuclear repulsion energy	136.827719

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'	1062	1062	134.05	21.11	0.40	0.57
2	A'	637	637	39.98	31.75	0.11	0.19
3	A'	343	343	5.47	6.06	0.47	0.63

Atom	x (Å)	y (Å)
O1	1.520	0.804
S2	0.000	0.696
S3	-0.760	-1.098

	O1	S2	S3
O1		1.5235	2.9687
S2	1.5235		1.9477
S3	2.9687	1.9477

Number	Element	Mulliken
1	O	-0.475
2	S	0.635
3	S	-0.160

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

using model chemistry: PBEPBEultrafine/daug-cc-pVDZ

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
	-1.425	0.279	0.000	1.452
CHELPG
AIM
ESP

	x	y	z
x	7.896	2.304	0.000
y	2.304	8.585	0.000
z	0.000	0.000	4.865

<r²>	79.535
(<r²>)^1/2	8.918