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	hartrees
Energy at 0K	-27.707871
Energy at 298.15K	-27.709085
HF Energy	-27.707871
Nuclear repulsion energy	30.341501

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A₁	3378	3045	16.68	116.02	0.26	0.42
2	A₁	2211	1993	940.43	1.35	0.58	0.73
3	A₁	1550	1397	18.63	6.24	0.51	0.67
4	A₁	1224	1103	21.35	41.12	0.28	0.44
5	B₁	831	749	221.20	10.46	0.75	0.86
6	B₁	543	490	20.24	10.55	0.75	0.86
7	B₂	3494	3149	0.10	59.31	0.75	0.86
8	B₂	1115	1005	10.31	0.01	0.75	0.86
9	B₂	464	419	8.51	0.06	0.75	0.86

Atom	y (Å)	z (Å)
C1	0.000	-1.235
C2	0.000	0.107
O3	0.000	1.287
H4	0.939	-1.762
H5	-0.939	-1.762

	C1	C2	O3	H4	H5
C1		1.3416	2.5216	1.0762	1.0762
C2	1.3416		1.1800	2.0908	2.0908
O3	2.5216	1.1800		3.1895	3.1895
H4	1.0762	2.0908	3.1895		1.8772
H5	1.0762	2.0908	3.1895	1.8772

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	C2	O3	180.000		C2	C1	H4	119.298
C2	C1	H5	119.298		H4	C1	H5	121.404

All results from a given calculation for CH₂CO (Ketene)

using model chemistry: HF/CEP-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	-0.429
2	C	0.070
3	O	-0.077
4	H	0.218
5	H	0.218

	x	y	z	Total
	0.000	0.000	-2.244	2.244
CHELPG
AIM
ESP

<r²>	35.457
(<r²>)^1/2	5.955

All results from a given calculation for CH2CO (Ketene)

using model chemistry: HF/CEP-31G

States and conformations

All results from a given calculation for CH₂CO (Ketene)