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	hartrees
Energy at 0K	-871.328234
Energy at 298.15K
HF Energy	-871.328234
Nuclear repulsion energy	142.378532

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'	1235	1235	175.97	22.88	0.44	0.62
2	A'	720	720	53.14	32.98	0.13	0.23
3	A'	391	391	7.70	4.80	0.48	0.65

Atom	x (Å)	y (Å)
O1	1.445	0.804
S2	0.000	0.666
S3	-0.723	-1.068

	O1	S2	S3
O1		1.4519	2.8649
S2	1.4519		1.8793
S3	2.8649	1.8793

Number	Element	Mulliken
1	O	-0.270
2	S	0.348
3	S	-0.078

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

using model chemistry: HSEh1PBE/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
	-1.458	0.106	0.000	1.462
CHELPG
AIM
ESP

	x	y	z
x	6.895	2.040	0.000
y	2.040	7.879	0.000
z	0.000	0.000	4.404

<r²>	75.005
(<r²>)^1/2	8.661