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	hartrees
Energy at 0K	-152.220874
Energy at 298.15K	-152.221934
HF Energy	-151.746059
Nuclear repulsion energy	57.852782

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3211	3110	22.44
2	A₁	2169	2101	639.05
3	A₁	1419	1374	10.85
4	A₁	1151	1115	5.37
5	B₁	601	582	65.78
6	B₁	519	502	44.50
7	B₂	3325	3221	4.25
8	B₂	996	965	1.74
9	B₂	440	426	3.45

Atom	y (Å)	z (Å)
C1	0.000	-1.227
C2	0.000	0.106
O3	0.000	1.280
H4	0.952	-1.756
H5	-0.952	-1.756

	C1	C2	O3	H4	H5
C1		1.3330	2.5075	1.0891	1.0891
C2	1.3330		1.1746	2.0912	2.0912
O3	2.5075	1.1746		3.1822	3.1822
H4	1.0891	2.0912	3.1822		1.9040
H5	1.0891	2.0912	3.1822	1.9040

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	C2	O3	180.000		C2	C1	H4	119.057
C2	C1	H5	119.057		H4	C1	H5	121.886

All results from a given calculation for CH₂CO (Ketene)

using model chemistry: QCISD/aug-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: QCISD/aug-cc-pVDZ

States and conformations

All results from a given calculation for CH₂CO (Ketene)