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	hartrees
Energy at 0K	-116.964633
Energy at 298.15K	-116.968746
HF Energy	-116.471224
Nuclear repulsion energy	64.723573

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3292	3074	0.47
2	A'	3166	2956	14.27
3	A'	3104	2898	8.94
4	A'	3066	2863	21.33
5	A'	1889	1763	7.39
6	A'	1511	1411	9.13
7	A'	1429	1335	2.29
8	A'	1308	1222	1.87
9	A'	1145	1069	4.58
10	A'	956	893	2.71
11	A'	832	777	16.15
12	A'	421	393	8.11
13	A"	3131	2923	16.11
14	A"	1509	1409	6.63
15	A"	1114	1040	3.85
16	A"	947	884	7.37
17	A"	673	628	59.33
18	A"	216	202	0.04

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.444	0.000
C2	1.287	0.358	0.000
C3	-0.961	-0.713	0.000
H4	-0.444	1.440	0.000
H5	2.124	1.035	0.000
H6	-0.428	-1.661	0.000
H7	-1.605	-0.673	0.879
H8	-1.605	-0.673	-0.879

	C1	C2	C3	H4	H5	H6	H7	H8
C1		1.2901	1.5037	1.0906	2.2048	2.1474	2.1437	2.1437
C2	1.2901		2.4904	2.0414	1.0763	2.6493	3.1940	3.1940
C3	1.5037	2.4904		2.2137	3.5458	1.0872	1.0904	1.0904
H4	1.0906	2.0414	2.2137		2.5997	3.1003	2.5658	2.5658
H5	2.2048	1.0763	3.5458	2.5997		3.7124	4.1948	4.1948
H6	2.1474	2.6493	1.0872	3.1003	3.7124		1.7701	1.7701
H7	2.1437	3.1940	1.0904	2.5658	4.1948	1.7701		1.7578
H8	2.1437	3.1940	1.0904	2.5658	4.1948	1.7701	1.7578

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	137.220	C1	C3	H6	110.936
C1	C3	H7	110.446	C1	C3	H8	110.446
C2	C1	C3	125.929	C2	C1	H4	117.830
C3	C1	H4	116.241	H6	C3	H7	108.750
H6	C3	H8	108.750	H7	C3	H8	107.418

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

using model chemistry: CCD/cc-pVTZ

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: CCD/cc-pVTZ

States and conformations

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