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	hartrees
Energy at 0K	-152.500035
Energy at 298.15K	-152.501097
HF Energy	-151.795979
Nuclear repulsion energy	58.597491

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3205	3205
2	A₁	2201	2201
3	A₁	1419	1419
4	A₁	1160	1160
5	B₁	594	594
6	B₁	535	535
7	B₂	3313	3313
8	B₂	992	992
9	B₂	436	436

Atom	y (Å)	z (Å)
C1	0.000	-1.210
C2	0.000	0.102
O3	0.000	1.264
H4	0.939	-1.734
H5	-0.939	-1.734

	C1	C2	O3	H4	H5
C1		1.3125	2.4745	1.0755	1.0755
C2	1.3125		1.1620	2.0624	2.0624
O3	2.4745	1.1620		3.1418	3.1418
H4	1.0755	2.0624	3.1418		1.8790
H5	1.0755	2.0624	3.1418	1.8790

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	C2	O3	180.000		C2	C1	H4	119.130
C2	C1	H5	119.130		H4	C1	H5	121.739

All results from a given calculation for CH₂CO (Ketene)

using model chemistry: QCISD(T)=FULL/aug-cc-pVQZ

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(T)=FULL/aug-cc-pVQZ

States and conformations

All results from a given calculation for CH₂CO (Ketene)