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	hartrees
Energy at 0K	-152.223375
Energy at 298.15K	-152.224458
HF Energy	-151.747002
Nuclear repulsion energy	57.873551

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3208	3208	22.47
2	A₁	2172	2172	635.12
3	A₁	1419	1419	10.97
4	A₁	1151	1151	5.05
5	B₁	615	615	81.78
6	B₁	535	535	26.62
7	B₂	3324	3324	4.17
8	B₂	997	997	1.71
9	B₂	440	440	3.19

Atom	y (Å)	z (Å)
C1	0.000	-1.227
C2	0.000	0.106
O3	0.000	1.280
H4	0.951	-1.756
H5	-0.951	-1.756

	C1	C2	O3	H4	H5
C1		1.3327	2.5067	1.0885	1.0885
C2	1.3327		1.1740	2.0910	2.0910
O3	2.5067	1.1740		3.1817	3.1817
H4	1.0885	2.0910	3.1817		1.9019
H5	1.0885	2.0910	3.1817	1.9019

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	C2	O3	180.000		C2	C1	H4	119.112
C2	C1	H5	119.112		H4	C1	H5	121.776

All results from a given calculation for CH₂CO (Ketene)

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

States and conformations

All results from a given calculation for CH₂CO (Ketene)