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	hartrees
Energy at 0K	-152.249512
Energy at 298.15K	-152.250563
HF Energy	-151.746294
Nuclear repulsion energy	57.734258

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3192	3192
2	A₁	2159	2159
3	A₁	1403	1403
4	A₁	1137	1137
5	B₁	595	595
6	B₁	519	519
7	B₂	3308	3308
8	B₂	984	984
9	B₂	436	436

Atom	y (Å)	z (Å)
C1	0.000	-1.230
C2	0.000	0.106
O3	0.000	1.283
H4	0.952	-1.760
H5	-0.952	-1.760

	C1	C2	O3	H4	H5
C1		1.3357	2.5132	1.0896	1.0896
C2	1.3357		1.1775	2.0944	2.0944
O3	2.5132	1.1775		3.1885	3.1885
H4	1.0896	2.0944	3.1885		1.9041
H5	1.0896	2.0944	3.1885	1.9041

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	C2	O3	180.000		C2	C1	H4	119.098
C2	C1	H5	119.098		H4	C1	H5	121.804

All results from a given calculation for CH₂CO (Ketene)

using model chemistry: CCSD(T)=FULL/daug-cc-pVDZ

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: CCSD(T)=FULL/daug-cc-pVDZ

States and conformations

All results from a given calculation for CH₂CO (Ketene)