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	hartrees
Energy at 0K	-190.629713
Energy at 298.15K	-190.634461
HF Energy	-190.273260
Nuclear repulsion energy	111.288721

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3330	3157	2.42
2	A'	3208	3041	4.13
3	A'	3203	3037	3.16
4	A'	3095	2934	1.10
5	A'	1605	1521	18.69
6	A'	1568	1486	12.41
7	A'	1500	1422	7.02
8	A'	1460	1384	35.29
9	A'	1218	1155	76.48
10	A'	1103	1045	9.20
11	A'	869	824	35.32
12	A'	769	729	2.34
13	A'	521	494	11.43
14	A'	397	376	3.13
15	A"	3166	3001	7.15
16	A"	1582	1499	11.52
17	A"	1111	1053	8.44
18	A"	728	690	38.77
19	A"	566	536	4.21
20	A"	364	345	0.11
21	A"	118	112	0.06

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.171	0.000
O2	0.392	1.334	0.000
C3	-1.424	-0.169	0.000
C4	0.959	-1.029	0.000
H5	-2.153	0.630	0.000
H6	-1.759	-1.199	0.000
H7	1.982	-0.650	0.000
H8	0.791	-1.647	0.889
H9	0.791	-1.647	-0.889

	C1	O2	C3	C4	H5	H6	H7	H8	H9
C1		1.2276	1.4638	1.5360	2.2017	2.2294	2.1457	2.1728	2.1728
O2	1.2276		2.3578	2.4302	2.6415	3.3233	2.5430	3.1364	3.1364
C3	1.4638	2.3578		2.5324	1.0823	1.0824	3.4396	2.8066	2.8066
C4	1.5360	2.4302	2.5324		3.5264	2.7226	1.0915	1.0953	1.0953
H5	2.2017	2.6415	1.0823	3.5264		1.8706	4.3292	3.8266	3.8266
H6	2.2294	3.3233	1.0824	2.7226	1.8706		3.7809	2.7372	2.7372
H7	2.1457	2.5430	3.4396	1.0915	4.3292	3.7809		1.7894	1.7894
H8	2.1728	3.1364	2.8066	1.0953	3.8266	2.7372	1.7894		1.7774
H9	2.1728	3.1364	2.8066	1.0953	3.8266	2.7372	1.7894	1.7774

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	H5	118.941	C1	C3	H6	121.497
C1	C4	H7	108.315	C1	C4	H8	110.208
C1	C4	H9	110.208	O2	C1	C3	122.099
O2	C1	C4	122.750	C3	C1	C4	115.151
H5	C3	H6	119.561	H7	C4	H8	109.823
H7	C4	H9	109.823	H8	C4	H9	108.460

All results from a given calculation for CH₃COCH₂ (Acetonyl radical)

using model chemistry: MP2=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 CH3COCH2 (Acetonyl radical)

using model chemistry: MP2=FULL/3-21G*

States and conformations

All results from a given calculation for CH₃COCH₂ (Acetonyl radical)