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	hartrees
Energy at 0K	-152.394614
Energy at 298.15K	-152.395718
HF Energy	-151.791483
Nuclear repulsion energy	58.748350

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3227	3227	26.14
2	A₁	2237	2237	670.78
3	A₁	1449	1449	14.47
4	A₁	1179	1179	4.04
5	B₁	616	616	74.72
6	B₁	556	556	50.30
7	B₂	3330	3330	7.46
8	B₂	1017	1017	3.83
9	B₂	449	449	3.83

Atom	y (Å)	z (Å)
C1	0.000	-1.208
C2	0.000	0.104
O3	0.000	1.261
H4	0.938	-1.730
H5	-0.938	-1.730

	C1	C2	O3	H4	H5
C1		1.3122	2.4688	1.0736	1.0736
C2	1.3122		1.1565	2.0604	2.0604
O3	2.4688	1.1565		3.1347	3.1347
H4	1.0736	2.0604	3.1347		1.8761
H5	1.0736	2.0604	3.1347	1.8761

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	C2	O3	180.000		C2	C1	H4	119.105
C2	C1	H5	119.105		H4	C1	H5	121.790

All results from a given calculation for CH₂CO (Ketene)

using model chemistry: CCSD=FULL/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=FULL/Def2TZVPP

States and conformations

All results from a given calculation for CH₂CO (Ketene)