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	hartrees
Energy at 0K	-116.066466
Energy at 298.15K	-116.070458
HF Energy	-115.783750
Nuclear repulsion energy	63.576006

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3218	3093	3.78
2	A'	3104	2984	18.42
3	A'	3034	2916	8.59
4	A'	3024	2907	21.43
5	A'	1648	1584	0.12
6	A'	1565	1504	6.05
7	A'	1470	1413	2.61
8	A'	1340	1288	1.88
9	A'	1140	1095	10.21
10	A'	944	907	0.61
11	A'	833	801	10.02
12	A'	431	414	5.49
13	A"	3079	2959	22.47
14	A"	1568	1507	6.69
15	A"	1113	1069	0.59
16	A"	851	818	0.24
17	A"	626	601	55.33
18	A"	173	166	0.01

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.462	0.000
C2	1.322	0.334	0.000
C3	-0.988	-0.710	0.000
H4	-0.454	1.463	0.000
H5	2.162	1.022	0.000
H6	-0.445	-1.664	0.000
H7	-1.632	-0.669	0.891
H8	-1.632	-0.669	-0.891

	C1	C2	C3	H4	H5	H6	H7	H8
C1		1.3280	1.5333	1.0990	2.2335	2.1723	2.1767	2.1767
C2	1.3280		2.5354	2.1042	1.0856	2.6676	3.2447	3.2447
C3	1.5333	2.5354		2.2377	3.5952	1.0980	1.1001	1.1001
H4	1.0990	2.1042	2.2377		2.6534	3.1271	2.5938	2.5938
H5	2.2335	1.0856	3.5952	2.6534		3.7432	4.2487	4.2487
H6	2.1723	2.6676	1.0980	3.1271	3.7432		1.7870	1.7870
H7	2.1767	3.2447	1.1001	2.5938	4.2487	1.7870		1.7822
H8	2.1767	3.2447	1.1001	2.5938	4.2487	1.7870	1.7822

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	135.206	C1	C3	H6	110.198
C1	C3	H7	110.418	C1	C3	H8	110.418
C2	C1	C3	124.622	C2	C1	H4	119.926
C3	C1	H4	115.452	H6	C3	H7	108.778
H6	C3	H8	108.778	H7	C3	H8	108.196

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

using model chemistry: QCISD/3-21G*

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/3-21G*

States and conformations

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