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	hartrees
Energy at 0K	-151.759171
Energy at 298.15K	-151.760391
HF Energy	-151.759171
Nuclear repulsion energy	58.041880

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	3200	3088	25.93	85.82	0.12	0.21
2	A₁	2205	2128	389.45	1.00	0.56	0.72
3	A₁	1463	1412	26.74	6.26	0.73	0.84
4	A₁	1186	1145	7.02	24.73	0.32	0.48
5	B₁	724	698	200.84	0.89	0.75	0.86
6	B₁	596	575	0.59	3.08	0.75	0.86
7	B₂	3281	3166	6.18	58.63	0.75	0.86
8	B₂	1050	1013	10.79	0.04	0.75	0.86
9	B₂	489	472	0.79	0.00	0.75	0.86

Atom	y (Å)	z (Å)
C1	0.000	-1.214
C2	0.000	0.094
O3	0.000	1.280
H4	0.933	-1.762
H5	-0.933	-1.762

	C1	C2	O3	H4	H5
C1		1.3075	2.4937	1.0819	1.0819
C2	1.3075		1.1862	2.0770	2.0770
O3	2.4937	1.1862		3.1817	3.1817
H4	1.0819	2.0770	3.1817		1.8652
H5	1.0819	2.0770	3.1817	1.8652

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	C2	O3	180.000		C2	C1	H4	120.453
C2	C1	H5	120.453		H4	C1	H5	119.094

All results from a given calculation for CH₂CO (Ketene)

using model chemistry: B3LYP/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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Number	Element	Mulliken
1	C	-0.478
2	C	0.418
3	O	-0.433
4	H	0.247
5	H	0.247

	x	y	z	Total
	0.000	0.000	-1.501	1.501
CHELPG
AIM
ESP	0.000	0.000	-1.519	1.519

<r²>	40.682
(<r²>)^1/2	6.378

All results from a given calculation for CH2CO (Ketene)

using model chemistry: B3LYP/3-21G

States and conformations

All results from a given calculation for CH₂CO (Ketene)