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	hartrees
Energy at 0K	-150.943623
Energy at 298.15K	-150.944800
Nuclear repulsion energy	58.006764

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3136	3079	44.09
2	A₁	2224	2184	333.29
3	A₁	1396	1371	34.49
4	A₁	1177	1156	11.19
5	B₁	698	686	212.24
6	B₁	588	577	4.42
7	B₂	3216	3158	16.78
8	B₂	993	975	15.67
9	B₂	478	469	0.00

Atom	y (Å)	z (Å)
C1	0.000	-1.210
C2	0.000	0.093
O3	0.000	1.280
H4	0.938	-1.768
H5	-0.938	-1.768

	C1	C2	O3	H4	H5
C1		1.3033	2.4908	1.0916	1.0916
C2	1.3033		1.1874	2.0842	2.0842
O3	2.4908	1.1874		3.1896	3.1896
H4	1.0916	2.0842	3.1896		1.8767
H5	1.0916	2.0842	3.1896	1.8767

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	C2	O3	180.000		C2	C1	H4	120.725
C2	C1	H5	120.725		H4	C1	H5	118.550

All results from a given calculation for CH₂CO (Ketene)

using model chemistry: LSDA/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	-0.528
2	C	0.372
3	O	-0.382
4	H	0.269
5	H	0.269

	x	y	z	Total
	0.000	0.000	-1.496	1.496
CHELPG
AIM
ESP

<r²>	0.000
(<r²>)^1/2	0.000

All results from a given calculation for CH2CO (Ketene)

using model chemistry: LSDA/3-21G*

States and conformations

All results from a given calculation for CH₂CO (Ketene)