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	hartrees
Energy at 0K	-152.565325
Energy at 298.15K
HF Energy	-152.368212
Nuclear repulsion energy	58.623072

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	3208	3208	29.68	116.06	0.09	0.16
2	A₁	2199	2199	617.10	15.97	0.52	0.68
3	A₁	1420	1420	17.16	3.60	0.28	0.44
4	A₁	1164	1164	3.21	44.22	0.15	0.26
5	B₁	593	593	57.09	1.05	0.75	0.86
6	B₁	540	540	59.40	4.56	0.75	0.86
7	B₂	3301	3301	9.58	48.91	0.75	0.86
8	B₂	993	993	3.33	0.03	0.75	0.86
9	B₂	441	441	2.33	0.00	0.75	0.86

Atom	y (Å)	z (Å)
C1	0.000	-1.209
C2	0.000	0.102
O3	0.000	1.264
H4	0.937	-1.736
H5	-0.937	-1.736

	C1	C2	O3	H4	H5
C1		1.3102	2.4726	1.0755	1.0755
C2	1.3102		1.1624	2.0628	2.0628
O3	2.4726	1.1624		3.1430	3.1430
H4	1.0755	2.0628	3.1430		1.8748
H5	1.0755	2.0628	3.1430	1.8748

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	C2	O3	180.000		C2	C1	H4	119.358
C2	C1	H5	119.358		H4	C1	H5	121.285

All results from a given calculation for CH₂CO (Ketene)

using model chemistry: B2PLYP=FULLultrafine/daug-cc-pVTZ

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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All results from a given calculation for CH2CO (Ketene)

using model chemistry: B2PLYP=FULLultrafine/daug-cc-pVTZ

States and conformations

All results from a given calculation for CH₂CO (Ketene)