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	hartrees
Energy at 0K	-116.828762
Energy at 298.15K	-116.832903
HF Energy	-116.436057
Nuclear repulsion energy	64.834578

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3363	3143	0.85
2	A'	3252	3039	14.01
3	A'	3175	2966	11.00
4	A'	3134	2929	21.94
5	A'	1930	1803	4.07
6	A'	1554	1452	6.61
7	A'	1463	1367	1.99
8	A'	1331	1243	1.64
9	A'	1172	1095	6.62
10	A'	976	912	2.76
11	A'	870	813	14.81
12	A'	425	397	7.37
13	A"	3218	3007	18.44
14	A"	1547	1445	6.05
15	A"	1136	1061	2.64
16	A"	974	910	8.14
17	A"	686	641	52.94
18	A"	220	205	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.444	0.000
C2	1.286	0.353	0.000
C3	-0.959	-0.710	0.000
H4	-0.445	1.439	0.000
H5	2.111	1.043	0.000
H6	-0.424	-1.655	0.000
H7	-1.602	-0.674	0.878
H8	-1.602	-0.674	-0.878

	C1	C2	C3	H4	H5	H6	H7	H8
C1		1.2890	1.5003	1.0897	2.1945	2.1413	2.1414	2.1414
C2	1.2890		2.4835	2.0432	1.0758	2.6372	3.1880	3.1880
C3	1.5003	2.4835		2.2092	3.5351	1.0858	1.0888	1.0888
H4	1.0897	2.0432	2.2092		2.5867	3.0937	2.5633	2.5633
H5	2.1945	1.0758	3.5351	2.5867		3.7021	4.1838	4.1838
H6	2.1413	2.6372	1.0858	3.0937	3.7021		1.7667	1.7667
H7	2.1414	3.1880	1.0888	2.5633	4.1838	1.7667		1.7555
H8	2.1414	3.1880	1.0888	2.5633	4.1838	1.7667	1.7555

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	136.056	C1	C3	H6	110.770
C1	C3	H7	110.597	C1	C3	H8	110.597
C2	C1	C3	125.672	C2	C1	H4	118.156
C3	C1	H4	116.172	H6	C3	H7	108.669
H6	C3	H8	108.669	H7	C3	H8	107.442

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

using model chemistry: MP2=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 CH3CHCH (1-propenyl radical)

using model chemistry: MP2=FULL/6-31G**

States and conformations

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