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	hartrees
Energy at 0K	-152.576133
Energy at 298.15K	-152.577130
HF Energy	-152.576133
Nuclear repulsion energy	58.372503

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	3135	3092	23.96	114.13	0.12	0.22
2	A₁	2172	2142	555.57	5.91	0.72	0.84
3	A₁	1374	1355	17.70	3.06	0.31	0.47
4	A₁	1143	1128	5.34	33.72	0.23	0.37
5	B₁	565	557	30.40	0.01	0.75	0.86
6	B₁	500	493	89.08	3.91	0.75	0.86
7	B₂	3226	3182	7.20	53.51	0.75	0.86
8	B₂	963	950	4.93	0.11	0.75	0.86
9	B₂	428	422	1.70	0.01	0.75	0.86

Atom	y (Å)	z (Å)
C1	0.000	-1.212
C2	0.000	0.102
O3	0.000	1.270
H4	0.940	-1.748
H5	-0.940	-1.748

	C1	C2	O3	H4	H5
C1		1.3142	2.4816	1.0827	1.0827
C2	1.3142		1.1675	2.0758	2.0758
O3	2.4816	1.1675		3.1612	3.1612
H4	1.0827	2.0758	3.1612		1.8810
H5	1.0827	2.0758	3.1612	1.8810

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	C2	O3	180.000		C2	C1	H4	119.698
C2	C1	H5	119.698		H4	C1	H5	120.604

All results from a given calculation for CH₂CO (Ketene)

using model chemistry: B97D3/Def2TZVPP

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	-0.268
2	C	0.188
3	O	-0.135
4	H	0.107
5	H	0.107

	x	y	z	Total
	0.000	0.000	-1.422	1.422
CHELPG
AIM
ESP

<r²>	40.495
(<r²>)^1/2	6.364

All results from a given calculation for CH2CO (Ketene)

using model chemistry: B97D3/Def2TZVPP

States and conformations

All results from a given calculation for CH₂CO (Ketene)