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	hartrees
Energy at 0K	-151.767775
Energy at 298.15K	-151.769040
HF Energy	-151.767775
Nuclear repulsion energy	59.422601

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	3329	3024	26.37	94.19	0.19	0.32
2	A₁	2370	2153	1004.44	2.24	0.71	0.83
3	A₁	1538	1397	19.42	3.36	0.18	0.31
4	A₁	1251	1136	3.82	32.84	0.28	0.44
5	B₁	705	640	158.49	2.70	0.75	0.86
6	B₁	645	586	20.26	4.35	0.75	0.86
7	B₂	3434	3120	4.98	49.22	0.75	0.86
8	B₂	1095	994	10.43	0.04	0.75	0.86
9	B₂	497	452	8.62	0.00	0.75	0.86

Atom	y (Å)	z (Å)
C1	0.000	-1.195
C2	0.000	0.108
O3	0.000	1.244
H4	0.936	-1.716
H5	-0.936	-1.716

	C1	C2	O3	H4	H5
C1		1.3038	2.4397	1.0708	1.0708
C2	1.3038		1.1358	2.0506	2.0506
O3	2.4397	1.1358		3.1048	3.1048
H4	1.0708	2.0506	3.1048		1.8711
H5	1.0708	2.0506	3.1048	1.8711

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	C2	O3	180.000		C2	C1	H4	119.108
C2	C1	H5	119.108		H4	C1	H5	121.784

All results from a given calculation for CH₂CO (Ketene)

using model chemistry: HF/6-311G**

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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Calc. vs exp. Bad Vib. HF vs MP2 Bad scale factors Low excited states Oddities NaCN Is not linear FAQ Help Units Choose Units Energy Bond length Rotational Constant Moment of Inertia Dipole and Quadrupole Polarizability Explanations Hartree cm-1 Debye Credits Just show me Show me a calculated geometry Summary Using older interface Limit Basis sets Method options List Recent molecules Choose a few Molecules Number of atoms By heavy atoms Diatomics InChI Deuterated Dimers Geometry Point group Point group count Bonds types Isodesmic reactions Bad point group Multiple conformers, states Vibrations Big anharmonicity Energy Enthalpy at 0 Kelvin Similar molecules Similar Isomers Cis/trans Tautomers Multiple conformers, states Ions, Dipoles, etc. List Ions Ionization changes point group Dipole Quadrupole Polarizability Proton Affinities Index of CCCBDB Feedback Error form Wants
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Number	Element	Mulliken
1	C	-0.403
2	C	0.390
3	O	-0.319
4	H	0.166
5	H	0.166

	x	y	z	Total
	0.000	0.000	-1.499	1.499
CHELPG
AIM
ESP

<r²>	39.659
(<r²>)^1/2	6.298

All results from a given calculation for CH2CO (Ketene)

using model chemistry: HF/6-311G**

States and conformations

All results from a given calculation for CH₂CO (Ketene)