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	hartrees
Energy at 0K	-871.334196
Energy at 298.15K
HF Energy	-871.088702
Nuclear repulsion energy	138.894771

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'	1096	1096	106.38	17.84	0.47	0.64
2	A'	633	633	39.26	22.99	0.28	0.43
3	A'	370	370	11.16	9.82	0.63	0.77

Atom	x (Å)	y (Å)
O1	1.485	0.812
S2	0.000	0.686
S3	-0.742	-1.092

	O1	S2	S3
O1		1.4899	2.9299
S2	1.4899		1.9266
S3	2.9299	1.9266

Number	Element	Mulliken
1	O	-0.388
2	S	0.544
3	S	-0.156

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

using model chemistry: B2PLYP=FULLultrafine/6-311G*

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
	-1.466	0.632	0.000	1.596
CHELPG
AIM
ESP

	x	y	z
x	5.535	2.752	-0.000
y	2.752	7.215	0.000
z	-0.000	0.000	2.529

<r²>	78.290
(<r²>)^1/2	8.848