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	hartrees
Energy at 0K	-152.195024
Energy at 298.15K	-152.196076
HF Energy	-151.738060
Nuclear repulsion energy	57.918084

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3226	3095	22.43
2	A₁	2209	2119	531.18
3	A₁	1424	1366	10.52
4	A₁	1162	1115	7.49
5	B₁	594	570	38.12
6	B₁	514	493	91.30
7	B₂	3341	3205	5.96
8	B₂	1000	959	4.45
9	B₂	441	423	3.44

Atom	y (Å)	z (Å)
C1	0.000	-1.225
C2	0.000	0.106
O3	0.000	1.278
H4	0.953	-1.756
H5	-0.953	-1.756

	C1	C2	O3	H4	H5
C1		1.3308	2.5035	1.0908	1.0908
C2	1.3308		1.1727	2.0913	2.0913
O3	2.5035	1.1727		3.1804	3.1804
H4	1.0908	2.0913	3.1804		1.9059
H5	1.0908	2.0913	3.1804	1.9059

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	C2	O3	180.000		C2	C1	H4	119.117
C2	C1	H5	119.117		H4	C1	H5	121.767

All results from a given calculation for CH₂CO (Ketene)

using model chemistry: QCISD/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: QCISD/cc-pVDZ

States and conformations

All results from a given calculation for CH₂CO (Ketene)