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	hartrees
Energy at 0K	-151.933297
Energy at 298.15K	-151.934408
HF Energy	-151.647110
Nuclear repulsion energy	57.642951

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3255	3053	21.03
2	A₁	2165	2030	503.52
3	A₁	1502	1409	13.03
4	A₁	1174	1101	15.52
5	B₁	775	727	165.10
6	B₁	481	451	13.72
7	B₂	3353	3144	1.27
8	B₂	1080	1013	7.09
9	B₂	431	404	3.89

Atom	y (Å)	z (Å)
C1	0.000	-1.225
C2	0.000	0.096
O3	0.000	1.290
H4	0.934	-1.770
H5	-0.934	-1.770

	C1	C2	O3	H4	H5
C1		1.3215	2.5149	1.0817	1.0817
C2	1.3215		1.1933	2.0874	2.0874
O3	2.5149	1.1933		3.1994	3.1994
H4	1.0817	2.0874	3.1994		1.8687
H5	1.0817	2.0874	3.1994	1.8687

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	C2	O3	180.000		C2	C1	H4	120.259
C2	C1	H5	120.259		H4	C1	H5	119.483

All results from a given calculation for CH₂CO (Ketene)

using model chemistry: CISD/6-31G

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/6-31G

States and conformations

All results from a given calculation for CH₂CO (Ketene)