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	hartrees
Energy at 0K	-152.383433
Energy at 298.15K	-152.384558
HF Energy	-152.383433
Nuclear repulsion energy	57.928667

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	3239	3098	31.87	100.54	0.12	0.21
2	A₁	2198	2103	486.31	0.71	0.69	0.82
3	A₁	1448	1385	21.01	4.96	0.70	0.82
4	A₁	1179	1128	14.18	28.77	0.30	0.46
5	B₁	742	710	190.61	0.90	0.75	0.86
6	B₁	521	498	6.63	3.39	0.75	0.86
7	B₂	3335	3190	6.16	61.51	0.75	0.86
8	B₂	1030	985	11.70	0.02	0.75	0.86
9	B₂	436	417	1.72	0.01	0.75	0.86

Atom	y (Å)	z (Å)
C1	0.000	-1.217
C2	0.000	0.094
O3	0.000	1.283
H4	0.933	-1.764
H5	-0.933	-1.764

	C1	C2	O3	H4	H5
C1		1.3114	2.4997	1.0816	1.0816
C2	1.3114		1.1883	2.0795	2.0795
O3	2.4997	1.1883		3.1864	3.1864
H4	1.0816	2.0795	3.1864		1.8662
H5	1.0816	2.0795	3.1864	1.8662

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	C2	O3	180.000		C2	C1	H4	120.378
C2	C1	H5	120.378		H4	C1	H5	119.244

All results from a given calculation for CH₂CO (Ketene)

using model chemistry: HSEh1PBE/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	-0.457
2	C	0.357
3	O	-0.345
4	H	0.223
5	H	0.223

	x	y	z	Total
	0.000	0.000	-1.913	1.913
CHELPG
AIM
ESP

<r²>	40.877
(<r²>)^1/2	6.394

All results from a given calculation for CH2CO (Ketene)

using model chemistry: HSEh1PBE/6-31G

States and conformations

All results from a given calculation for CH₂CO (Ketene)