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	hartrees
Energy at 0K	-152.396926
Energy at 298.15K	-152.398031
HF Energy	-151.787462
Nuclear repulsion energy	58.832200

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3232	3232	27.21
2	A₁	2243	2243	703.13
3	A₁	1451	1451	13.64
4	A₁	1184	1184	3.80
5	B₁	622	622	73.52
6	B₁	559	559	39.60
7	B₂	3314	3314	7.16
8	B₂	1012	1012	2.53
9	B₂	448	448	3.40

Atom	y (Å)	z (Å)
C1	0.000	-1.206
C2	0.000	0.104
O3	0.000	1.259
H4	0.938	-1.727
H5	-0.938	-1.727

	C1	C2	O3	H4	H5
C1		1.3095	2.4647	1.0733	1.0733
C2	1.3095		1.1552	2.0573	2.0573
O3	2.4647	1.1552		3.1300	3.1300
H4	1.0733	2.0573	3.1300		1.8764
H5	1.0733	2.0573	3.1300	1.8764

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	C2	O3	180.000		C2	C1	H4	119.062
C2	C1	H5	119.062		H4	C1	H5	121.877

All results from a given calculation for CH₂CO (Ketene)

using model chemistry: CCSD=FULL/daug-cc-pVTZ

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/daug-cc-pVTZ

States and conformations

All results from a given calculation for CH₂CO (Ketene)