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	hartrees
Energy at 0K	-871.360718
Energy at 298.15K
HF Energy	-871.150354
Nuclear repulsion energy	139.772955

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'	1128	1084	123.27	26.27	0.41	0.58
2	A'	663	637	40.20	31.35	0.11	0.20
3	A'	371	356	6.81	5.99	0.45	0.62

Atom	x (Å)	y (Å)
O1	1.478	0.804
S2	0.000	0.681
S3	-0.739	-1.083

	O1	S2	S3
O1		1.4827	2.9110
S2	1.4827		1.9128
S3	2.9110	1.9128

Number	Element	Mulliken
1	O	-0.564
2	S	0.659
3	S	-0.095

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

using model chemistry: B2PLYP/aug-cc-pVTZ

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
	-1.483	0.204	0.000	1.497
CHELPG
AIM
ESP

	x	y	z
x	7.465	2.158	-0.002
y	2.158	8.258	-0.001
z	-0.002	-0.001	4.701

<r²>	77.205
(<r²>)^1/2	8.787