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	hartrees
Energy at 0K	-152.378571
Energy at 298.15K
HF Energy	-151.796614
Nuclear repulsion energy	58.749122

Atom	y (Å)	z (Å)
C1	0.000	-1.208
C2	0.000	0.104
O3	0.000	1.260
H4	0.940	-1.730
H5	-0.940	-1.730

	C1	C2	O3	H4	H5
C1		1.3116	2.4681	1.0754	1.0754
C2	1.3116		1.1565	2.0605	2.0605
O3	2.4681	1.1565		3.1343	3.1343
H4	1.0754	2.0605	3.1343		1.8807
H5	1.0754	2.0605	3.1343	1.8807

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	C2	O3	180.000		C2	C1	H4	119.026
C2	C1	H5	119.026		H4	C1	H5	121.947

All results from a given calculation for CH₂CO (Ketene)

using model chemistry: CCSD/aug-cc-pVQZ

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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All results from a given calculation for CH2CO (Ketene)

using model chemistry: CCSD/aug-cc-pVQZ

States and conformations

All results from a given calculation for CH₂CO (Ketene)