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	hartrees
Energy at 0K	-871.286119
Energy at 298.15K
HF Energy	-871.286119
Nuclear repulsion energy	139.895452

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'	1177	1130	173.83	25.88	0.40	0.57
2	A'	692	664	50.10	27.98	0.26	0.42
3	A'	381	366	12.16	8.80	0.65	0.79

Atom	x (Å)	y (Å)
O1	1.480	0.792
S2	0.000	0.683
S3	-0.740	-1.079

	O1	S2	S3
O1		1.4836	2.9024
S2	1.4836		1.9107
S3	2.9024	1.9107

Number	Element	Mulliken
1	O	-0.325
2	S	0.451
3	S	-0.127

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

using model chemistry: HSEh1PBE/TZVP

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
	-1.652	0.466	0.000	1.716
CHELPG
AIM
ESP

	x	y	z
x	5.756	2.681	0.000
y	2.681	7.125	0.000
z	0.000	0.000	2.573

<r²>	76.969
(<r²>)^1/2	8.773