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	hartrees
Energy at 0K	-116.978871
Energy at 298.15K	-116.982810
HF Energy	-116.468865
Nuclear repulsion energy	64.190421

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3266	3123
2	A'	3140	3002
3	A'	3061	2927
4	A'	3041	2907
5	A'	1682	1608
6	A'	1506	1440
7	A'	1432	1369
8	A'	1286	1230
9	A'	1133	1083
10	A'	939	897
11	A'	825	789
12	A'	409	391
13	A"	3107	2970
14	A"	1486	1420
15	A"	1068	1021
16	A"	790	755
17	A"	621	594
18	A"	169	162

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.450	0.000
C2	1.311	0.329	0.000
C3	-0.980	-0.696	0.000
H4	-0.432	1.456	0.000
H5	2.157	0.999	0.000
H6	-0.458	-1.654	0.000
H7	-1.624	-0.650	0.883
H8	-1.624	-0.650	-0.883

	C1	C2	C3	H4	H5	H6	H7	H8
C1		1.3163	1.5086	1.0947	2.2257	2.1535	2.1514	2.1514
C2	1.3163		2.5101	2.0754	1.0796	2.6573	3.2174	3.2174
C3	1.5086	2.5101		2.2212	3.5663	1.0909	1.0937	1.0937
H4	1.0947	2.0754	2.2212		2.6288	3.1102	2.5764	2.5764
H5	2.2257	1.0796	3.5663	2.6288		3.7254	4.2186	4.2186
H6	2.1535	2.6573	1.0909	3.1102	3.7254		1.7739	1.7739
H7	2.1514	3.2174	1.0937	2.5764	4.2186	1.7739		1.7661
H8	2.1514	3.2174	1.0937	2.5764	4.2186	1.7739	1.7661

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	136.328	C1	C3	H6	110.854
C1	C3	H7	110.516	C1	C3	H8	110.516
C2	C1	C3	125.253	C2	C1	H4	118.521
C3	C1	H4	116.226	H6	C3	H7	108.586
H6	C3	H8	108.586	H7	C3	H8	107.691

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

using model chemistry: CCSD(T)=FULL/TZVP

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: CCSD(T)=FULL/TZVP

States and conformations

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