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	hartrees
Energy at 0K	-151.160827
Energy at 298.15K	-151.162074
HF Energy	-150.874965
Nuclear repulsion energy	58.024205

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3254	3041	20.98
2	A₁	2218	2072	421.66
3	A₁	1524	1424	19.28
4	A₁	1200	1122	8.10
5	B₁	783	732	193.25
6	B₁	587	548	7.45
7	B₂	3341	3122	2.89
8	B₂	1109	1036	8.47
9	B₂	492	460	2.17

Atom	y (Å)	z (Å)
C1	0.000	-1.216
C2	0.000	0.096
O3	0.000	1.280
H4	0.931	-1.761
H5	-0.931	-1.761

	C1	C2	O3	H4	H5
C1		1.3115	2.4963	1.0793	1.0793
C2	1.3115		1.1848	2.0775	2.0775
O3	2.4963	1.1848		3.1813	3.1813
H4	1.0793	2.0775	3.1813		1.8626
H5	1.0793	2.0775	3.1813	1.8626

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	C2	O3	180.000		C2	C1	H4	120.362
C2	C1	H5	120.362		H4	C1	H5	119.276

All results from a given calculation for CH₂CO (Ketene)

using model chemistry: CISD/3-21G*

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: CISD/3-21G*

States and conformations

All results from a given calculation for CH₂CO (Ketene)