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	hartrees
Energy at 0K	-151.669088
Energy at 298.15K	-151.670249
HF Energy	-151.669088
Nuclear repulsion energy	57.672404

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	3147	3094	22.73	88.22	0.12	0.21
2	A₁	2151	2115	327.32	1.24	0.56	0.72
3	A₁	1423	1399	27.72	6.57	0.74	0.85
4	A₁	1153	1133	6.40	24.22	0.31	0.47
5	B₁	663	652	196.67	0.65	0.75	0.86
6	B₁	580	570	0.59	3.06	0.75	0.86
7	B₂	3228	3173	4.77	61.25	0.75	0.86
8	B₂	1019	1001	10.67	0.04	0.75	0.86
9	B₂	476	468	0.31	0.00	0.75	0.86

Atom	y (Å)	z (Å)
C1	0.000	-1.221
C2	0.000	0.093
O3	0.000	1.289
H4	0.937	-1.772
H5	-0.937	-1.772

	C1	C2	O3	H4	H5
C1		1.3143	2.5100	1.0867	1.0867
C2	1.3143		1.1956	2.0871	2.0871
O3	2.5100	1.1956		3.2008	3.2008
H4	1.0867	2.0871	3.2008		1.8738
H5	1.0867	2.0871	3.2008	1.8738

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	C2	O3	180.000		C2	C1	H4	120.445
C2	C1	H5	120.445		H4	C1	H5	119.110

All results from a given calculation for CH₂CO (Ketene)

using model chemistry: B97D3/3-21G

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	-0.494
2	C	0.416
3	O	-0.431
4	H	0.254
5	H	0.254

	x	y	z	Total
	0.000	0.000	-1.507	1.507
CHELPG
AIM
ESP

<r²>	40.992
(<r²>)^1/2	6.402

All results from a given calculation for CH2CO (Ketene)

using model chemistry: B97D3/3-21G

States and conformations

All results from a given calculation for CH₂CO (Ketene)