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	hartrees
Energy at 0K	-473.268103
Energy at 298.15K
HF Energy	-473.131041
Nuclear repulsion energy	45.503090

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.496
O2	0.000	0.000	-0.992

	S1	O2
S1		1.4886
O2	1.4886

Number	Element	Mulliken	CHELPG	AIM	ESP
1	S	0.303
2	O	-0.303

	x	y	z	Total
	0.000	0.000	1.571	1.571
CHELPG
AIM
ESP

All results from a given calculation for SO (Sulfur monoxide)

using model chemistry: B2PLYP/cc-pCVQZ

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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<r²>	22.956
(<r²>)^1/2	4.791