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	hartrees
Energy at 0K	-152.421435
Energy at 298.15K	-152.422515
HF Energy	-151.786305
Nuclear repulsion energy	58.574627

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3218	3101
2	A₁	2202	2122
3	A₁	1431	1379
4	A₁	1163	1121
5	B₁	605	583
6	B₁	535	516
7	B₂	3293	3173
8	B₂	1006	969
9	B₂	442	425

Atom	y (Å)	z (Å)
C1	0.000	-1.211
C2	0.000	0.102
O3	0.000	1.265
H4	0.939	-1.733
H5	-0.939	-1.733

	C1	C2	O3	H4	H5
C1		1.3134	2.4760	1.0747	1.0747
C2	1.3134		1.1627	2.0620	2.0620
O3	2.4760	1.1627		3.1420	3.1420
H4	1.0747	2.0620	3.1420		1.8786
H5	1.0747	2.0620	3.1420	1.8786

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	C2	O3	180.000		C2	C1	H4	119.075
C2	C1	H5	119.075		H4	C1	H5	121.850

All results from a given calculation for CH₂CO (Ketene)

using model chemistry: CCSD(T)=FULL/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: CCSD(T)=FULL/aug-cc-pVTZ

States and conformations

All results from a given calculation for CH₂CO (Ketene)