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	hartrees
Energy at 0K	-871.275821
Energy at 298.15K
HF Energy	-871.100796
Nuclear repulsion energy	138.058208

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'	1082	1033	110.12	25.69	0.44	0.61
2	A'	639	610	34.72	20.24	0.25	0.40
3	A'	363	346	10.34	10.26	0.63	0.78

Atom	x (Å)	y (Å)
O1	1.500	0.801
S2	0.000	0.692
S3	-0.750	-1.092

	O1	S2	S3
O1		1.5041	2.9406
S2	1.5041		1.9355
S3	2.9406	1.9355

Number	Element	Mulliken
1	O	-0.319
2	S	0.434
3	S	-0.115

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

using model chemistry: B2PLYP/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
	-1.629	0.419	0.000	1.682
CHELPG
AIM
ESP

	x	y	z
x	5.928	2.711	0.000
y	2.711	7.184	0.000
z	0.000	0.000	2.561

<r²>	78.650
(<r²>)^1/2	8.869