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	hartrees
Energy at 0K	-116.853829
Energy at 298.15K	-116.857944
HF Energy	-116.458038
Nuclear repulsion energy	64.632911

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3308	3143	0.40
2	A'	3192	3033	13.52
3	A'	3112	2957	10.14
4	A'	3081	2927	21.99
5	A'	1915	1820	6.55
6	A'	1512	1437	9.72
7	A'	1423	1352	2.58
8	A'	1295	1230	2.24
9	A'	1144	1087	5.52
10	A'	958	910	3.64
11	A'	838	796	16.17
12	A'	418	397	8.16
13	A"	3159	3002	16.64
14	A"	1504	1429	7.96
15	A"	1112	1057	4.27
16	A"	956	908	9.97
17	A"	676	642	63.24
18	A"	219	208	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.445	0.000
C2	1.287	0.359	0.000
C3	-0.960	-0.716	0.000
H4	-0.449	1.444	0.000
H5	2.122	1.044	0.000
H6	-0.421	-1.664	0.000
H7	-1.605	-0.675	0.883
H8	-1.605	-0.675	-0.883

	C1	C2	C3	H4	H5	H6	H7	H8
C1		1.2895	1.5062	1.0955	2.2051	2.1507	2.1471	2.1471
C2	1.2895		2.4907	2.0471	1.0802	2.6478	3.1954	3.1954
C3	1.5062	2.4907		2.2191	3.5492	1.0911	1.0941	1.0941
H4	1.0955	2.0471	2.2191		2.6025	3.1082	2.5701	2.5701
H5	2.2051	1.0802	3.5492	2.6025		3.7152	4.1983	4.1983
H6	2.1507	2.6478	1.0911	3.1082	3.7152		1.7773	1.7773
H7	2.1471	3.1954	1.0941	2.5701	4.1983	1.7773		1.7663
H8	2.1471	3.1954	1.0941	2.5701	4.1983	1.7773	1.7663

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	136.852	C1	C3	H6	110.788
C1	C3	H7	110.314	C1	C3	H8	110.314
C2	C1	C3	125.798	C2	C1	H4	118.030
C3	C1	H4	116.172	H6	C3	H7	108.852
H6	C3	H8	108.852	H7	C3	H8	107.643

All results from a given calculation for CH₃CHCH (1-propenyl radical)

using model chemistry: MP2/6-311G**

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 CH3CHCH (1-propenyl radical)

using model chemistry: MP2/6-311G**

States and conformations

All results from a given calculation for CH₃CHCH (1-propenyl radical)