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	hartrees
Energy at 0K	-117.241369
Energy at 298.15K	-117.245333
HF Energy	-117.241369
Nuclear repulsion energy	64.180231

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3249	3135	1.97
2	A'	3129	3019	20.03
3	A'	3028	2922	17.99
4	A'	3020	2915	28.14
5	A'	1683	1624	1.93
6	A'	1496	1444	6.08
7	A'	1407	1358	1.07
8	A'	1272	1227	0.99
9	A'	1114	1075	7.62
10	A'	931	899	2.01
11	A'	804	776	17.29
12	A'	395	381	7.70
13	A"	3079	2971	23.97
14	A"	1497	1444	4.54
15	A"	1061	1023	1.62
16	A"	812	784	2.73
17	A"	617	595	48.31
18	A"	205	198	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.449	0.000
C2	1.310	0.332	0.000
C3	-0.978	-0.698	0.000
H4	-0.432	1.455	0.000
H5	2.153	1.013	0.000
H6	-0.455	-1.657	0.000
H7	-1.628	-0.655	0.882
H8	-1.628	-0.655	-0.882

	C1	C2	C3	H4	H5	H6	H7	H8
C1		1.3149	1.5072	1.0951	2.2256	2.1547	2.1559	2.1559
C2	1.3149		2.5090	2.0721	1.0838	2.6598	3.2226	3.2226
C3	1.5072	2.5090		2.2215	3.5680	1.0922	1.0967	1.0967
H4	1.0951	2.0721	2.2215		2.6221	3.1125	2.5813	2.5813
H5	2.2256	1.0838	3.5680	2.6221		3.7330	4.2259	4.2259
H6	2.1547	2.6598	1.0922	3.1125	3.7330		1.7770	1.7770
H7	2.1559	3.2226	1.0967	2.5813	4.2259	1.7770		1.7638
H8	2.1559	3.2226	1.0967	2.5813	4.2259	1.7770	1.7638

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	135.990	C1	C3	H6	110.969
C1	C3	H7	110.794	C1	C3	H8	110.794
C2	C1	C3	125.374	C2	C1	H4	118.302
C3	C1	H4	116.324	H6	C3	H7	108.548
H6	C3	H8	108.548	H7	C3	H8	107.062

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

using model chemistry: TPSSh/6-31G(2df,p)

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: TPSSh/6-31G(2df,p)

States and conformations

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