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	hartrees
Energy at 0K	-152.199097
Energy at 298.15K	-152.200162
HF Energy	-151.738611
Nuclear repulsion energy	58.034529

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3233	3233	23.18
2	A₁	2235	2235	564.41
3	A₁	1429	1429	10.48
4	A₁	1171	1171	7.61
5	B₁	598	598	37.45
6	B₁	522	522	93.13
7	B₂	3349	3349	6.30
8	B₂	1003	1003	4.49
9	B₂	444	444	3.44

Atom	y (Å)	z (Å)
C1	0.000	-1.223
C2	0.000	0.106
O3	0.000	1.276
H4	0.952	-1.753
H5	-0.952	-1.753

	C1	C2	O3	H4	H5
C1		1.3290	2.4984	1.0897	1.0897
C2	1.3290		1.1694	2.0888	2.0888
O3	2.4984	1.1694		3.1747	3.1747
H4	1.0897	2.0888	3.1747		1.9042
H5	1.0897	2.0888	3.1747	1.9042

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	C2	O3	180.000		C2	C1	H4	119.111
C2	C1	H5	119.111		H4	C1	H5	121.779

All results from a given calculation for CH₂CO (Ketene)

using model chemistry: CCSD=FULL/cc-pVDZ

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/cc-pVDZ

States and conformations

All results from a given calculation for CH₂CO (Ketene)