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	hartrees
Energy at 0K	-152.218503
Energy at 298.15K	-152.219571
HF Energy	-151.746457
Nuclear repulsion energy	57.929274

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3212	3095	22.85
2	A₁	2190	2110	675.26
3	A₁	1421	1369	10.89
4	A₁	1158	1115	5.36
5	B₁	603	581	64.45
6	B₁	522	503	46.14
7	B₂	3327	3205	4.37
8	B₂	999	962	1.71
9	B₂	442	426	3.47

Atom	y (Å)	z (Å)
C1	0.000	-1.226
C2	0.000	0.106
O3	0.000	1.278
H4	0.952	-1.755
H5	-0.952	-1.755

	C1	C2	O3	H4	H5
C1		1.3324	2.5041	1.0889	1.0889
C2	1.3324		1.1718	2.0904	2.0904
O3	2.5041	1.1718		3.1787	3.1787
H4	1.0889	2.0904	3.1787		1.9040
H5	1.0889	2.0904	3.1787	1.9040

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	C2	O3	180.000		C2	C1	H4	119.042
C2	C1	H5	119.042		H4	C1	H5	121.916

All results from a given calculation for CH₂CO (Ketene)

using model chemistry: CCSD/aug-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/aug-cc-pVDZ

States and conformations

All results from a given calculation for CH₂CO (Ketene)