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	hartrees
Energy at 0K	-151.682398
Energy at 298.15K	-151.683650
HF Energy	-151.682398
Nuclear repulsion energy	58.180321

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	3250	3115	33.54	81.49	0.12	0.21
2	A₁	2241	2148	451.08	0.42	0.66	0.79
3	A₁	1472	1412	24.73	4.78	0.67	0.80
4	A₁	1207	1157	8.99	24.92	0.33	0.50
5	B₁	780	748	221.07	1.28	0.75	0.86
6	B₁	603	578	1.48	2.97	0.75	0.86
7	B₂	3336	3198	11.37	52.70	0.75	0.86
8	B₂	1065	1021	12.84	0.02	0.75	0.86
9	B₂	490	470	1.13	0.00	0.75	0.86

Atom	y (Å)	z (Å)
C1	0.000	-1.212
C2	0.000	0.095
O3	0.000	1.276
H4	0.934	-1.755
H5	-0.934	-1.755

	C1	C2	O3	H4	H5
C1		1.3064	2.4880	1.0808	1.0808
C2	1.3064		1.1816	2.0724	2.0724
O3	2.4880	1.1816		3.1721	3.1721
H4	1.0808	2.0724	3.1721		1.8685
H5	1.0808	2.0724	3.1721	1.8685

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	C2	O3	180.000		C2	C1	H4	120.187
C2	C1	H5	120.187		H4	C1	H5	119.626

All results from a given calculation for CH₂CO (Ketene)

using model chemistry: M06-2X/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	-0.505
2	C	0.422
3	O	-0.445
4	H	0.264
5	H	0.264

	x	y	z	Total
	0.000	0.000	-1.641	1.641
CHELPG
AIM
ESP

<r²>	40.646
(<r²>)^1/2	6.375

All results from a given calculation for CH2CO (Ketene)

using model chemistry: M06-2X/3-21G

States and conformations

All results from a given calculation for CH₂CO (Ketene)