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	hartrees
Energy at 0K	-152.551537
Energy at 298.15K	-152.552582
HF Energy	-152.551537
Nuclear repulsion energy	58.307022

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3198	3086	32.02
2	A₁	2250	2172	575.43
3	A₁	1386	1338	14.16
4	A₁	1170	1129	10.43
5	B₁	583	562	15.73
6	B₁	527	508	120.92
7	B₂	3308	3193	13.56
8	B₂	969	935	7.67
9	B₂	438	423	1.84

Atom	y (Å)	z (Å)
C1	0.000	-1.214
C2	0.000	0.103
O3	0.000	1.270
H4	0.949	-1.748
H5	-0.949	-1.748

	C1	C2	O3	H4	H5
C1		1.3169	2.4835	1.0890	1.0890
C2	1.3169		1.1665	2.0802	2.0802
O3	2.4835	1.1665		3.1633	3.1633
H4	1.0890	2.0802	3.1633		1.8980
H5	1.0890	2.0802	3.1633	1.8980

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	C2	O3	180.000		C2	C1	H4	119.374
C2	C1	H5	119.374		H4	C1	H5	121.253

All results from a given calculation for CH₂CO (Ketene)

using model chemistry: B3PW91/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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Number	Element	Mulliken
1	C	-0.213
2	C	0.121
3	O	-0.106
4	H	0.099
5	H	0.099

	x	y	z	Total
	0.000	0.000	-1.311	1.311
CHELPG
AIM
ESP

<r²>	40.347
(<r²>)^1/2	6.352

All results from a given calculation for CH2CO (Ketene)

using model chemistry: B3PW91/cc-pVDZ

States and conformations

All results from a given calculation for CH₂CO (Ketene)