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	hartrees
Energy at 0K	-152.389747
Energy at 298.15K	-152.390885
HF Energy	-151.787610
Nuclear repulsion energy	59.002212

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3261	3261	30.54
2	A₁	2285	2285	767.16
3	A₁	1459	1459	13.28
4	A₁	1200	1200	4.66
5	B₁	629	629	73.68
6	B₁	570	570	40.95
7	B₂	3337	3337	8.28
8	B₂	1027	1027	2.80
9	B₂	457	457	3.43

Atom	y (Å)	z (Å)
C1	0.000	-1.203
C2	0.000	0.105
O3	0.000	1.255
H4	0.937	-1.723
H5	-0.937	-1.723

	C1	C2	O3	H4	H5
C1		1.3075	2.4577	1.0715	1.0715
C2	1.3075		1.1502	2.0538	2.0538
O3	2.4577	1.1502		3.1218	3.1218
H4	1.0715	2.0538	3.1218		1.8733
H5	1.0715	2.0538	3.1218	1.8733

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	C2	O3	180.000		C2	C1	H4	119.051
C2	C1	H5	119.051		H4	C1	H5	121.898

All results from a given calculation for CH₂CO (Ketene)

using model chemistry: MP3=FULL/aug-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: MP3=FULL/aug-cc-pVTZ

States and conformations

All results from a given calculation for CH₂CO (Ketene)