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	hartrees
Energy at 0K	-871.547569
Energy at 298.15K
HF Energy	-871.547569
Nuclear repulsion energy	139.829521

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'	1192	1192	177.45	24.61	0.40	0.57
2	A'	709	709	50.11	39.38	0.12	0.22
3	A'	378	378	8.60	4.99	0.48	0.64

Atom	x (Å)	y (Å)
O1	1.485	0.780
S2	0.000	0.685
S3	-0.742	-1.075

	O1	S2	S3
O1		1.4880	2.8982
S2	1.4880		1.9097
S3	2.8982	1.9097

Number	Element	Mulliken
1	O	-0.558
2	S	0.743
3	S	-0.185

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

using model chemistry: wB97X-D/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
	-1.531	0.348	0.000	1.570
CHELPG
AIM
ESP

	x	y	z
x	7.467	2.202	0.000
y	2.202	8.194	0.000
z	0.000	0.000	4.714

<r²>	76.831
(<r²>)^1/2	8.765