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	hartrees
Energy at 0K	-151.773543
Energy at 298.15K	-151.774538
Nuclear repulsion energy	58.214374

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3148	3090	40.32
2	A₁	2256	2213	449.58
3	A₁	1372	1346	19.90
4	A₁	1161	1139	13.04
5	B₁	556	546	10.75
6	B₁	529	519	149.09
7	B₂	3238	3177	16.80
8	B₂	946	928	11.54
9	B₂	424	416	0.76

Atom	y (Å)	z (Å)
C1	0.000	-1.211
C2	0.000	0.100
O3	0.000	1.273
H4	0.946	-1.757
H5	-0.946	-1.757

	C1	C2	O3	H4	H5
C1		1.3110	2.4845	1.0915	1.0915
C2	1.3110		1.1734	2.0833	2.0833
O3	2.4845	1.1734		3.1739	3.1739
H4	1.0915	2.0833	3.1739		1.8910
H5	1.0915	2.0833	3.1739	1.8910

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	C2	O3	180.000		C2	C1	H4	119.975
C2	C1	H5	119.975		H4	C1	H5	120.051

All results from a given calculation for CH₂CO (Ketene)

using model chemistry: LSDA/6-31G*

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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Number	Element	Mulliken
1	C	-0.555
2	C	0.431
3	O	-0.325
4	H	0.224
5	H	0.224

	x	y	z	Total
	0.000	0.000	-1.515	1.515
CHELPG
AIM
ESP

<r²>	0.000
(<r²>)^1/2	0.000

All results from a given calculation for CH2CO (Ketene)

using model chemistry: LSDA/6-31G*

States and conformations

All results from a given calculation for CH₂CO (Ketene)