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	hartrees
Energy at 0K	-152.273197
Energy at 298.15K	-152.274355
HF Energy	-151.784674
Nuclear repulsion energy	59.066940

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3285	3028	31.70
2	A₁	2294	2115	805.05
3	A₁	1474	1359	15.93
4	A₁	1208	1113	3.19
5	B₁	633	584	75.22
6	B₁	590	544	49.36
7	B₂	3394	3129	8.12
8	B₂	1034	953	3.91
9	B₂	464	428	4.48

Atom	y (Å)	z (Å)
C1	0.000	-1.202
C2	0.000	0.105
O3	0.000	1.253
H4	0.936	-1.722
H5	-0.936	-1.722

	C1	C2	O3	H4	H5
C1		1.3068	2.4549	1.0711	1.0711
C2	1.3068		1.1481	2.0529	2.0529
O3	2.4549	1.1481		3.1189	3.1189
H4	1.0711	2.0529	3.1189		1.8728
H5	1.0711	2.0529	3.1189	1.8728

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	121.899

All results from a given calculation for CH₂CO (Ketene)

using model chemistry: CISD/6-311+G(3df,2p)

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: CISD/6-311+G(3df,2p)

States and conformations

All results from a given calculation for CH₂CO (Ketene)