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	hartrees
Energy at 0K	-152.467678
Energy at 298.15K	-152.468715
HF Energy	-152.317627
Nuclear repulsion energy	58.110005

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	3217	3083	28.66	106.40	0.13	0.23
2	A₁	2217	2125	503.99	2.48	0.56	0.71
3	A₁	1400	1342	14.94	3.24	0.40	0.57
4	A₁	1161	1113	6.42	31.00	0.30	0.46
5	B₁	582	557	19.56	0.82	0.75	0.86
6	B₁	513	491	111.52	3.41	0.75	0.86
7	B₂	3329	3191	10.60	60.67	0.75	0.86
8	B₂	984	943	5.97	0.11	0.75	0.86
9	B₂	439	420	2.20	0.00	0.75	0.86

Atom	y (Å)	z (Å)
C1	0.000	-1.219
C2	0.000	0.103
O3	0.000	1.275
H4	0.949	-1.750
H5	-0.949	-1.750

	C1	C2	O3	H4	H5
C1		1.3229	2.4941	1.0876	1.0876
C2	1.3229		1.1712	2.0827	2.0827
O3	2.4941	1.1712		3.1704	3.1704
H4	1.0876	2.0827	3.1704		1.8985
H5	1.0876	2.0827	3.1704	1.8985

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	C2	O3	180.000		C2	C1	H4	119.219
C2	C1	H5	119.219		H4	C1	H5	121.562

All results from a given calculation for CH₂CO (Ketene)

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

States and conformations

All results from a given calculation for CH₂CO (Ketene)