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	hartrees
Energy at 0K	-151.567959
Energy at 298.15K	-151.569169
HF Energy	-151.459340
Nuclear repulsion energy	57.875984

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	3227	3227	25.07	85.57	0.12	0.21
2	A₁	2177	2177	336.44	1.36	0.52	0.69
3	A₁	1481	1481	27.05	6.97	0.74	0.85
4	A₁	1171	1171	4.21	26.02	0.31	0.47
5	B₁	722	722	199.92	0.85	0.75	0.86
6	B₁	588	588	1.90	2.97	0.75	0.86
7	B₂	3312	3312	5.85	59.10	0.75	0.86
8	B₂	1068	1068	9.99	0.04	0.75	0.86
9	B₂	487	487	0.87	0.00	0.75	0.86

Atom	y (Å)	z (Å)
C1	0.000	-1.218
C2	0.000	0.093
O3	0.000	1.285
H4	0.932	-1.764
H5	-0.932	-1.764

	C1	C2	O3	H4	H5
C1		1.3114	2.5026	1.0799	1.0799
C2	1.3114		1.1912	2.0780	2.0780
O3	2.5026	1.1912		3.1879	3.1879
H4	1.0799	2.0780	3.1879		1.8631
H5	1.0799	2.0780	3.1879	1.8631

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	C2	O3	180.000		C2	C1	H4	120.383
C2	C1	H5	120.383		H4	C1	H5	119.235

All results from a given calculation for CH₂CO (Ketene)

using model chemistry: B2PLYP=FULL/3-21G*

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/3-21G*

States and conformations

All results from a given calculation for CH₂CO (Ketene)