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State	Conformation	minimum conformation	conformer description	state description
1	1	yes	C*V	³Σ
2	1	yes	C*V	¹Σ

	hartrees
Energy at 0K	-472.448204
Energy at 298.15K
HF Energy	-472.224249
Nuclear repulsion energy	40.822331

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.553
O2	0.000	0.000	-1.106

	S1	O2
S1		1.6591
O2	1.6591

Number	Element	Mulliken	CHELPG	AIM	ESP
1	S	0.437
2	O	-0.437

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

using model chemistry: ROMP2/6-31G

States and conformations

State 1 (³Σ)

State 2 (¹Σ)

	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

	hartrees
Energy at 0K	-472.407303
Energy at 298.15K
HF Energy	-472.154619
Nuclear repulsion energy	38.483141

<r²>	26.206
(<r²>)^1/2	5.119

	S1	O2
S1		1.7603
O2	1.7603

<r²>	28.114
(<r²>)^1/2	5.302

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

using model chemistry: ROMP2/6-31G

States and conformations

State 1 (3Σ)

State 2 (1Σ)

State 1 (³Σ)

State 2 (¹Σ)