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	hartrees
Energy at 0K	-152.339195
Energy at 298.15K	-152.340280
HF Energy	-151.790871
Nuclear repulsion energy	58.570102

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3223	3223	25.21
2	A₁	2213	2213	632.87
3	A₁	1442	1442	13.97
4	A₁	1170	1170	4.29
5	B₁	607	607	64.24
6	B₁	544	544	59.38
7	B₂	3329	3329	7.03
8	B₂	1010	1010	3.66
9	B₂	445	445	3.76

Atom	y (Å)	z (Å)
C1	0.000	-1.212
C2	0.000	0.104
O3	0.000	1.265
H4	0.940	-1.735
H5	-0.940	-1.735

	C1	C2	O3	H4	H5
C1		1.3151	2.4763	1.0759	1.0759
C2	1.3151		1.1612	2.0648	2.0648
O3	2.4763	1.1612		3.1434	3.1434
H4	1.0759	2.0648	3.1434		1.8803
H5	1.0759	2.0648	3.1434	1.8803

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	C2	O3	180.000		C2	C1	H4	119.098
C2	C1	H5	119.098		H4	C1	H5	121.804

All results from a given calculation for CH₂CO (Ketene)

using model chemistry: QCISD/Def2TZVPP

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/Def2TZVPP

States and conformations

All results from a given calculation for CH₂CO (Ketene)