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	hartrees
Energy at 0K	-152.496419
Energy at 298.15K	-152.497503
HF Energy	-152.320323
Nuclear repulsion energy	58.561531

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	3231	3231	28.73	92.73	0.11	0.20
2	A₁	2239	2239	479.14	2.84	0.42	0.60
3	A₁	1423	1423	16.33	3.12	0.57	0.73
4	A₁	1173	1173	4.75	30.75	0.27	0.43
5	B₁	599	599	10.65	1.17	0.75	0.86
6	B₁	548	548	110.26	2.28	0.75	0.86
7	B₂	3332	3332	9.68	52.90	0.75	0.86
8	B₂	1001	1001	5.44	0.06	0.75	0.86
9	B₂	451	451	2.63	0.00	0.75	0.86

Atom	y (Å)	z (Å)
C1	0.000	-1.208
C2	0.000	0.101
O3	0.000	1.266
H4	0.938	-1.739
H5	-0.938	-1.739

	C1	C2	O3	H4	H5
C1		1.3092	2.4741	1.0776	1.0776
C2	1.3092		1.1650	2.0652	2.0652
O3	2.4741	1.1650		3.1479	3.1479
H4	1.0776	2.0652	3.1479		1.8754
H5	1.0776	2.0652	3.1479	1.8754

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	C2	O3	180.000		C2	C1	H4	119.518
C2	C1	H5	119.518		H4	C1	H5	120.963

All results from a given calculation for CH₂CO (Ketene)

using model chemistry: B2PLYP=FULL/6-31G(2df,p)

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/6-31G(2df,p)

States and conformations

All results from a given calculation for CH₂CO (Ketene)