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	hartrees
Energy at 0K	-152.400326
Energy at 298.15K	-152.401431
HF Energy	-151.783969
Nuclear repulsion energy	58.778583

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3227	3227	27.55
2	A₁	2247	2247	705.57
3	A₁	1436	1436	14.34
4	A₁	1179	1179	4.28
5	B₁	609	609	54.05
6	B₁	557	557	60.71
7	B₂	3336	3336	6.98
8	B₂	1008	1008	3.05
9	B₂	452	452	3.42

Atom	y (Å)	z (Å)
C1	0.000	-1.207
C2	0.000	0.104
O3	0.000	1.260
H4	0.939	-1.731
H5	-0.939	-1.731

	C1	C2	O3	H4	H5
C1		1.3114	2.4667	1.0753	1.0753
C2	1.3114		1.1554	2.0613	2.0613
O3	2.4667	1.1554		3.1343	3.1343
H4	1.0753	2.0613	3.1343		1.8784
H5	1.0753	2.0613	3.1343	1.8784

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	C2	O3	180.000		C2	C1	H4	119.136
C2	C1	H5	119.136		H4	C1	H5	121.727

All results from a given calculation for CH₂CO (Ketene)

using model chemistry: CCSD=FULL/6-311+G(3df,2p)

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/6-311+G(3df,2p)

States and conformations

All results from a given calculation for CH₂CO (Ketene)