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	hartrees
Energy at 0K	-152.533196
Energy at 298.15K
HF Energy	-152.362253
Nuclear repulsion energy	58.570064

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	3215	3215	29.01	110.56	0.15	0.25
2	A₁	2213	2213	592.87	6.31	0.73	0.84
3	A₁	1425	1425	19.62	3.57	0.32	0.49
4	A₁	1170	1170	4.41	36.06	0.25	0.39
5	B₁	587	587	76.86	0.10	0.75	0.86
6	B₁	532	532	73.48	3.91	0.75	0.86
7	B₂	3314	3314	10.05	51.84	0.75	0.86
8	B₂	1000	1000	7.84	0.06	0.75	0.86
9	B₂	441	441	2.64	0.01	0.75	0.86

Atom	y (Å)	z (Å)
C1	0.000	-1.209
C2	0.000	0.101
O3	0.000	1.265
H4	0.937	-1.740
H5	-0.937	-1.740

	C1	C2	O3	H4	H5
C1		1.3102	2.4741	1.0771	1.0771
C2	1.3102		1.1640	2.0662	2.0662
O3	2.4741	1.1640		3.1482	3.1482
H4	1.0771	2.0662	3.1482		1.8738
H5	1.0771	2.0662	3.1482	1.8738

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	C2	O3	180.000		C2	C1	H4	119.564
C2	C1	H5	119.564		H4	C1	H5	120.872

All results from a given calculation for CH₂CO (Ketene)

using model chemistry: B2PLYP=FULLultrafine/TZVP

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=FULLultrafine/TZVP

States and conformations

All results from a given calculation for CH₂CO (Ketene)