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State	Conformation	minimum conformation	conformer description	state description
1	1	no	C2V	¹A₁
2	1	no	CS	³A^"

	hartrees
Energy at 0K	-192.818362
Energy at 298.15K	-192.812014
Nuclear repulsion energy	120.105673

	hartrees
Energy at 0K	-192.687540
Energy at 298.15K	-192.681187
Nuclear repulsion energy

All results from a given calculation for CH₃COCH₃ (Acetone)

using model chemistry: CBS-Q

States and conformations

State 1 (¹A₁)

State 2 (³A^")

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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All results from a given calculation for CH3COCH3 (Acetone)

using model chemistry: CBS-Q

States and conformations

State 1 (1A1)

State 2 (3A")

All results from a given calculation for CH₃COCH₃ (Acetone)

State 1 (¹A₁)

State 2 (³A^")