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	hartrees
Energy at 0K	-152.344016
Energy at 298.15K	-152.345103
HF Energy	-151.786225
Nuclear repulsion energy	58.533700

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3215	3094	26.32
2	A₁	2204	2121	661.00
3	A₁	1433	1379	13.13
4	A₁	1167	1123	4.41
5	B₁	608	585	61.39
6	B₁	539	519	49.98
7	B₂	3320	3195	6.58
8	B₂	1006	968	2.42
9	B₂	445	429	3.30

Atom	y (Å)	z (Å)
C1	0.000	-1.212
C2	0.000	0.103
O3	0.000	1.266
H4	0.941	-1.735
H5	-0.941	-1.735

	C1	C2	O3	H4	H5
C1		1.3151	2.4776	1.0767	1.0767
C2	1.3151		1.1625	2.0650	2.0650
O3	2.4776	1.1625		3.1447	3.1447
H4	1.0767	2.0650	3.1447		1.8823
H5	1.0767	2.0650	3.1447	1.8823

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	C2	O3	180.000		C2	C1	H4	119.059
C2	C1	H5	119.059		H4	C1	H5	121.882

All results from a given calculation for CH₂CO (Ketene)

using model chemistry: QCISD/aug-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: QCISD/aug-cc-pVTZ

States and conformations

All results from a given calculation for CH₂CO (Ketene)