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	hartrees
Energy at 0K	-871.652501
Energy at 298.15K
HF Energy	-871.652501
Nuclear repulsion energy	137.782523

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'	1084	1081	124.64	17.33	0.39	0.56
2	A'	619	618	40.78	24.12	0.20	0.34
3	A'	352	351	5.89	8.48	0.55	0.71

Atom	x (Å)	y (Å)
O1	1.493	0.824
S2	0.000	0.692
S3	-0.747	-1.104

	O1	S2	S3
O1		1.4990	2.9547
S2	1.4990		1.9444
S3	2.9547	1.9444

Number	Element	Mulliken
1	O	-0.335
2	S	0.463
3	S	-0.128

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

using model chemistry: BLYP/cc-pVTZ

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
	-1.389	0.390	0.000	1.443
CHELPG
AIM
ESP

	x	y	z
x	6.205	2.474	0.000
y	2.474	7.591	0.000
z	0.000	0.000	3.410

<r²>	78.754
(<r²>)^1/2	8.874