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	hartrees
Energy at 0K	-867.441834
Energy at 298.15K
HF Energy	-867.441834
Nuclear repulsion energy	139.118090

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'	1114	1076	90.30	12.33	0.41	0.59
2	A'	680	657	42.16	22.54	0.26	0.42
3	A'	368	355	10.91	7.80	0.66	0.80

Atom	x (Å)	y (Å)
O1	1.496	0.821
S2	0.000	0.672
S3	-0.748	-1.082

	O1	S2	S3
O1		1.5035	2.9423
S2	1.5035		1.9068
S3	2.9423	1.9068

Number	Element	Mulliken
1	O	-0.364
2	S	0.545
3	S	-0.181

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

using model chemistry: TPSSh/3-21G*

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
	-1.081	0.865	0.000	1.384
CHELPG
AIM
ESP

	x	y	z
x	4.956	2.567	0.000
y	2.567	6.337	0.000
z	0.000	0.000	2.315

<r²>	77.746
(<r²>)^1/2	8.817