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	hartrees
Energy at 0K	-152.228928
Energy at 298.15K	-152.230027
HF Energy	-151.747574
Nuclear repulsion energy	57.991835

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3216	3216	23.15
2	A₁	2198	2198	672.71
3	A₁	1424	1424	11.01
4	A₁	1160	1160	5.11
5	B₁	620	620	83.74
6	B₁	546	546	25.38
7	B₂	3331	3331	4.39
8	B₂	1000	1000	1.74
9	B₂	446	446	3.20

Atom	y (Å)	z (Å)
C1	0.000	-1.225
C2	0.000	0.106
O3	0.000	1.277
H4	0.950	-1.754
H5	-0.950	-1.754

	C1	C2	O3	H4	H5
C1		1.3309	2.5015	1.0875	1.0875
C2	1.3309		1.1705	2.0886	2.0886
O3	2.5015	1.1705		3.1760	3.1760
H4	1.0875	2.0886	3.1760		1.9001
H5	1.0875	2.0886	3.1760	1.9001

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	C2	O3	180.000		C2	C1	H4	119.115
C2	C1	H5	119.115		H4	C1	H5	121.770

All results from a given calculation for CH₂CO (Ketene)

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

States and conformations

All results from a given calculation for CH₂CO (Ketene)