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	hartrees
Energy at 0K	-871.351458
Energy at 298.15K
HF Energy	-871.146930
Nuclear repulsion energy	140.973045

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'	1158	1158	132.94	25.96	0.42	0.59
2	A'	676	676	43.27	29.95	0.13	0.22
3	A'	377	377	6.74	5.88	0.47	0.64

Atom	x (Å)	y (Å)
O1	1.460	0.814
S2	0.000	0.672
S3	-0.730	-1.079

	O1	S2	S3
O1		1.4671	2.8947
S2	1.4671		1.8972
S3	2.8947	1.8972

Number	Element	Mulliken
1	O	-0.280
2	S	0.352
3	S	-0.072

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

using model chemistry: B2PLYP/6-311+G(3df,2p)

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
	-1.465	0.100	0.000	1.469
CHELPG
AIM
ESP

	x	y	z
x	7.121	2.129	-0.001
y	2.129	8.040	-0.001
z	-0.001	-0.001	4.443

<r²>	76.344
(<r²>)^1/2	8.737