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	hartrees
Energy at 0K	-151.750128
Energy at 298.15K	-151.751384
HF Energy	-151.750128
Nuclear repulsion energy	59.114573

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	3340	3046	27.72	97.03	0.11	0.19
2	A₁	2340	2134	1056.34	21.24	0.31	0.47
3	A₁	1528	1394	16.99	5.17	0.10	0.19
4	A₁	1244	1135	2.98	47.26	0.13	0.23
5	B₁	703	641	132.83	6.21	0.75	0.86
6	B₁	631	576	10.11	3.14	0.75	0.86
7	B₂	3455	3151	4.71	42.56	0.75	0.86
8	B₂	1084	989	4.47	0.08	0.75	0.86
9	B₂	492	449	7.36	0.00	0.75	0.86

Atom	y (Å)	z (Å)
C1	0.000	-1.202
C2	0.000	0.109
O3	0.000	1.251
H4	0.941	-1.723
H5	-0.941	-1.723

	C1	C2	O3	H4	H5
C1		1.3118	2.4531	1.0755	1.0755
C2	1.3118		1.1413	2.0601	2.0601
O3	2.4531	1.1413		3.1192	3.1192
H4	1.0755	2.0601	3.1192		1.8821
H5	1.0755	2.0601	3.1192	1.8821

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	C2	O3	180.000		C2	C1	H4	118.960
C2	C1	H5	118.960		H4	C1	H5	122.080

All results from a given calculation for CH₂CO (Ketene)

using model chemistry: HF/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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Number	Element	Mulliken
1	C	0.664
2	C	0.795
3	O	-0.561
4	H	-0.449
5	H	-0.449

	x	y	z	Total
	0.000	0.000	-1.564	1.564
CHELPG
AIM
ESP

<r²>	40.089
(<r²>)^1/2	6.332

All results from a given calculation for CH2CO (Ketene)

using model chemistry: HF/daug-cc-pVDZ

States and conformations

All results from a given calculation for CH₂CO (Ketene)