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	hartrees
Energy at 0K	-152.485757
Energy at 298.15K	-152.486828
HF Energy	-152.328395
Nuclear repulsion energy	58.114145

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	3211	3211	28.67	120.02	0.09	0.16
2	A₁	2187	2187	599.56	16.55	0.48	0.65
3	A₁	1402	1402	15.58	3.91	0.24	0.39
4	A₁	1154	1154	4.24	45.17	0.15	0.27
5	B₁	604	604	89.27	2.43	0.75	0.86
6	B₁	537	537	26.31	3.15	0.75	0.86
7	B₂	3324	3324	8.26	51.24	0.75	0.86
8	B₂	985	985	2.82	0.07	0.75	0.86
9	B₂	436	436	2.22	0.00	0.75	0.86

Atom	y (Å)	z (Å)
C1	0.000	-1.220
C2	0.000	0.103
O3	0.000	1.275
H4	0.946	-1.750
H5	-0.946	-1.750

	C1	C2	O3	H4	H5
C1		1.3234	2.4949	1.0847	1.0847
C2	1.3234		1.1715	2.0812	2.0812
O3	2.4949	1.1715		3.1697	3.1697
H4	1.0847	2.0812	3.1697		1.8926
H5	1.0847	2.0812	3.1697	1.8926

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	C2	O3	180.000		C2	C1	H4	119.261
C2	C1	H5	119.261		H4	C1	H5	121.478

All results from a given calculation for CH₂CO (Ketene)

using model chemistry: B2PLYP=FULL/daug-cc-pVDZ

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/daug-cc-pVDZ

States and conformations

All results from a given calculation for CH₂CO (Ketene)