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	hartrees
Energy at 0K	-152.330953
Energy at 298.15K	-152.332043
HF Energy	-151.783656
Nuclear repulsion energy	58.669683

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3216	3033	26.86
2	A₁	2233	2106	699.19
3	A₁	1435	1353	14.14
4	A₁	1173	1107	4.11
5	B₁	605	571	53.30
6	B₁	545	514	60.35
7	B₂	3325	3136	6.75
8	B₂	1007	950	2.79
9	B₂	448	423	3.48

Atom	y (Å)	z (Å)
C1	0.000	-1.210
C2	0.000	0.105
O3	0.000	1.262
H4	0.941	-1.733
H5	-0.941	-1.733

	C1	C2	O3	H4	H5
C1		1.3141	2.4716	1.0768	1.0768
C2	1.3141		1.1575	2.0645	2.0645
O3	2.4716	1.1575		3.1394	3.1394
H4	1.0768	2.0645	3.1394		1.8820
H5	1.0768	2.0645	3.1394	1.8820

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	C2	O3	180.000		C2	C1	H4	119.085
C2	C1	H5	119.085		H4	C1	H5	121.830

All results from a given calculation for CH₂CO (Ketene)

using model chemistry: CCSD/6-311+G(3df,2p)

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/6-311+G(3df,2p)

States and conformations

All results from a given calculation for CH₂CO (Ketene)