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	hartrees
Energy at 0K	-152.557381
Energy at 298.15K	-152.558460
HF Energy	-152.365905
Nuclear repulsion energy	58.630062

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A₁	3214	3072	28.44	107.35	0.13	0.23
2	A₁	2212	2114	564.57	3.52	0.72	0.83
3	A₁	1423	1360	17.93	3.42	0.33	0.49
4	A₁	1166	1115	3.59	33.11	0.25	0.40
5	B₁	595	569	58.60	0.03	0.75	0.86
6	B₁	548	524	70.12	4.23	0.75	0.86
7	B₂	3308	3162	9.49	52.52	0.75	0.86
8	B₂	996	952	5.17	0.06	0.75	0.86
9	B₂	441	421	2.48	0.00	0.75	0.86

Atom	y (Å)	z (Å)
C1	0.000	-1.208
C2	0.000	0.101
O3	0.000	1.264
H4	0.937	-1.735
H5	-0.937	-1.735

	C1	C2	O3	H4	H5
C1		1.3095	2.4723	1.0749	1.0749
C2	1.3095		1.1628	2.0618	2.0618
O3	2.4723	1.1628		3.1424	3.1424
H4	1.0749	2.0618	3.1424		1.8733
H5	1.0749	2.0618	3.1424	1.8733

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	C2	O3	180.000		C2	C1	H4	119.376
C2	C1	H5	119.376		H4	C1	H5	121.248

All results from a given calculation for CH₂CO (Ketene)

using model chemistry: B2PLYP=FULL/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: B2PLYP=FULL/cc-pVTZ

States and conformations

All results from a given calculation for CH₂CO (Ketene)