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	hartrees
Energy at 0K	-152.375213
Energy at 298.15K	-152.370799
HF Energy	-151.725493
Nuclear repulsion energy	59.217455

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	3363	3363	24.08	91.31	0.13	0.23
2	A₁	2381	2381	952.49	1.07	0.67	0.81
3	A₁	1554	1554	13.68	2.59	0.37	0.54
4	A₁	1264	1264	5.87	32.22	0.30	0.46
5	B₁	689	689	122.29	0.65	0.75	0.86
6	B₁	632	632	53.53	5.71	0.75	0.86
7	B₂	3466	3466	3.67	52.62	0.75	0.86
8	B₂	1102	1102	10.30	0.02	0.75	0.86
9	B₂	492	492	9.77	0.04	0.75	0.86

Atom	y (Å)	z (Å)
C1	0.000	-1.199
C2	0.000	0.109
O3	0.000	1.249
H4	0.936	-1.725
H5	-0.936	-1.725

	C1	C2	O3	H4	H5
C1		1.3081	2.4482	1.0733	1.0733
C2	1.3081		1.1401	2.0586	2.0586
O3	2.4482	1.1401		3.1175	3.1175
H4	1.0733	2.0586	3.1175		1.8716
H5	1.0733	2.0586	3.1175	1.8716

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	C2	O3	180.000		C2	C1	H4	119.315
C2	C1	H5	119.315		H4	C1	H5	121.370

All results from a given calculation for CH₂CO (Ketene)

using model chemistry: CBS-Q

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: CBS-Q

States and conformations

All results from a given calculation for CH₂CO (Ketene)