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	hartrees
Energy at 0K	-152.336822
Energy at 298.15K	-152.337915
HF Energy	-151.791160
Nuclear repulsion energy	58.640782

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3225	3225	25.58
2	A₁	2232	2232	665.61
3	A₁	1444	1444	13.97
4	A₁	1177	1177	4.29
5	B₁	609	609	62.97
6	B₁	548	548	60.98
7	B₂	3331	3331	7.20
8	B₂	1013	1013	3.62
9	B₂	448	448	3.81

Atom	y (Å)	z (Å)
C1	0.000	-1.210
C2	0.000	0.104
O3	0.000	1.263
H4	0.940	-1.733
H5	-0.940	-1.733

	C1	C2	O3	H4	H5
C1		1.3145	2.4732	1.0758	1.0758
C2	1.3145		1.1587	2.0639	2.0639
O3	2.4732	1.1587		3.1402	3.1402
H4	1.0758	2.0639	3.1402		1.8803
H5	1.0758	2.0639	3.1402	1.8803

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	C2	O3	180.000		C2	C1	H4	119.081
C2	C1	H5	119.081		H4	C1	H5	121.838

All results from a given calculation for CH₂CO (Ketene)

using model chemistry: CCSD/Def2TZVPP

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/Def2TZVPP

States and conformations

All results from a given calculation for CH₂CO (Ketene)