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	hartrees
Energy at 0K	-152.325418
Energy at 298.15K	-152.326520
HF Energy	-151.783975
Nuclear repulsion energy	58.762302

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3222	3039	28.33
2	A₁	2257	2129	730.98
3	A₁	1440	1358	13.95
4	A₁	1181	1114	3.81
5	B₁	610	575	54.44
6	B₁	552	520	60.17
7	B₂	3332	3142	7.09
8	B₂	1011	953	2.83
9	B₂	451	425	3.59

Atom	y (Å)	z (Å)
C1	0.000	-1.208
C2	0.000	0.105
O3	0.000	1.260
H4	0.941	-1.731
H5	-0.941	-1.731

	C1	C2	O3	H4	H5
C1		1.3129	2.4675	1.0765	1.0765
C2	1.3129		1.1546	2.0630	2.0630
O3	2.4675	1.1546		3.1351	3.1351
H4	1.0765	2.0630	3.1351		1.8818
H5	1.0765	2.0630	3.1351	1.8818

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	C2	O3	180.000		C2	C1	H4	119.072
C2	C1	H5	119.072		H4	C1	H5	121.856

All results from a given calculation for CH₂CO (Ketene)

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

States and conformations

All results from a given calculation for CH₂CO (Ketene)