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	hartrees
Energy at 0K	-116.863784
Energy at 298.15K	-116.867762
HF Energy	-116.439346
Nuclear repulsion energy	63.625760

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3261	3128	1.19
2	A'	3162	3034	17.50
3	A'	3086	2961	11.61
4	A'	3058	2934	27.87
5	A'	1695	1626	1.86
6	A'	1485	1425	6.55
7	A'	1413	1356	1.53
8	A'	1272	1220	1.40
9	A'	1133	1087	4.91
10	A'	945	907	1.90
11	A'	834	801	13.62
12	A'	408	392	6.44
13	A"	3130	3003	21.60
14	A"	1483	1423	5.42
15	A"	1063	1020	2.15
16	A"	814	781	1.72
17	A"	614	589	48.67
18	A"	192	185	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.451	0.000
C2	1.325	0.322	0.000
C3	-0.991	-0.695	0.000
H4	-0.426	1.473	0.000
H5	2.175	1.011	0.000
H6	-0.469	-1.666	0.000
H7	-1.643	-0.645	0.891
H8	-1.643	-0.645	-0.891

	C1	C2	C3	H4	H5	H6	H7	H8
C1		1.3314	1.5147	1.1068	2.2464	2.1690	2.1671	2.1671
C2	1.3314		2.5293	2.0951	1.0944	2.6787	3.2469	3.2469
C3	1.5147	2.5293		2.2397	3.5965	1.1029	1.1058	1.1058
H4	1.1068	2.0951	2.2397		2.6419	3.1394	2.6001	2.6001
H5	2.2464	1.0944	3.5965	2.6419		3.7637	4.2568	4.2568
H6	2.1690	2.6787	1.1029	3.1394	3.7637		1.7934	1.7934
H7	2.1671	3.2469	1.1058	2.6001	4.2568	1.7934		1.7824
H8	2.1671	3.2469	1.1058	2.6001	4.2568	1.7934	1.7824

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	135.424	C1	C3	H6	110.937
C1	C3	H7	110.614	C1	C3	H8	110.614
C2	C1	C3	125.296	C2	C1	H4	118.186
C3	C1	H4	116.519	H6	C3	H7	108.584
H6	C3	H8	108.584	H7	C3	H8	107.402

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

using model chemistry: QCISD/cc-pVDZ

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: QCISD/cc-pVDZ

States and conformations

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