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	hartrees
Energy at 0K	-152.274448
Energy at 298.15K	-152.275613
HF Energy	-151.785633
Nuclear repulsion energy	59.016682

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3292	3061	29.98
2	A₁	2296	2135	750.00
3	A₁	1480	1376	15.40
4	A₁	1210	1125	3.65
5	B₁	642	597	92.22
6	B₁	591	549	45.20
7	B₂	3398	3159	8.26
8	B₂	1038	965	5.10
9	B₂	462	430	4.71

Atom	y (Å)	z (Å)
C1	0.000	-1.203
C2	0.000	0.104
O3	0.000	1.255
H4	0.936	-1.722
H5	-0.936	-1.722

	C1	C2	O3	H4	H5
C1		1.3067	2.4573	1.0702	1.0702
C2	1.3067		1.1506	2.0519	2.0519
O3	2.4573	1.1506		3.1203	3.1203
H4	1.0702	2.0519	3.1203		1.8716
H5	1.0702	2.0519	3.1203	1.8716

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	C2	O3	180.000		C2	C1	H4	119.030
C2	C1	H5	119.030		H4	C1	H5	121.940

All results from a given calculation for CH₂CO (Ketene)

using model chemistry: CISD/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: CISD/cc-pVTZ

States and conformations

All results from a given calculation for CH₂CO (Ketene)