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	hartrees
Energy at 0K	-191.945066
Energy at 298.15K	-191.949703
HF Energy	-191.342013
Nuclear repulsion energy	111.362953

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3288	3288
2	A'	3177	3177
3	A'	3174	3174
4	A'	3055	3055
5	A'	1638	1638
6	A'	1519	1519
7	A'	1491	1491
8	A'	1437	1437
9	A'	1301	1301
10	A'	1081	1081
11	A'	945	945
12	A'	836	836
13	A'	525	525
14	A'	384	384
15	A"	3123	3123
16	A"	1521	1521
17	A"	1048	1048
18	A"	690	690
19	A"	501	501
20	A"	352	352
21	A"	93	93

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.144	0.000
O2	0.459	1.300	0.000
C3	-1.432	-0.073	0.000
C4	0.912	-1.071	0.000
H5	-2.093	0.790	0.000
H6	-1.865	-1.071	0.000
H7	1.953	-0.735	0.000
H8	0.728	-1.693	0.887
H9	0.728	-1.693	-0.887

	C1	O2	C3	C4	H5	H6	H7	H8	H9
C1		1.2433	1.4487	1.5192	2.1905	2.2263	2.1420	2.1662	2.1662
O2	1.2433		2.3367	2.4134	2.6025	3.3200	2.5247	3.1330	3.1330
C3	1.4487	2.3367		2.5480	1.0867	1.0881	3.4497	2.8425	2.8425
C4	1.5192	2.4134	2.5480		3.5347	2.7775	1.0936	1.0989	1.0989
H5	2.1905	2.6025	1.0867	3.5347		1.8748	4.3242	3.8616	3.8616
H6	2.2263	3.3200	1.0881	2.7775	1.8748		3.8331	2.8107	2.8107
H7	2.1420	2.5247	3.4497	1.0936	4.3242	3.8331		1.7900	1.7900
H8	2.1662	3.1330	2.8425	1.0989	3.8616	2.8107	1.7900		1.7734
H9	2.1662	3.1330	2.8425	1.0989	3.8616	2.8107	1.7900	1.7734

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	H5	118.841	C1	C3	H6	122.061
C1	C4	H7	109.040	C1	C4	H8	110.641
C1	C4	H9	110.641	O2	C1	C3	120.271
O2	C1	C4	121.444	C3	C1	C4	118.285
H5	C3	H6	119.098	H7	C4	H8	109.451
H7	C4	H9	109.451	H8	C4	H9	107.591

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

using model chemistry: QCISD(T)=FULL/6-31G*

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: QCISD(T)=FULL/6-31G*

States and conformations

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