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	hartrees
Energy at 0K	-116.027109
Energy at 298.15K	-116.031156
HF Energy	-115.774542
Nuclear repulsion energy	63.824949

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3270	3270
2	A'	3171	3171
3	A'	3106	3106
4	A'	3084	3084
5	A'	1673	1673
6	A'	1589	1589
7	A'	1488	1488
8	A'	1359	1359
9	A'	1158	1158
10	A'	961	961
11	A'	853	853
12	A'	435	435
13	A"	3147	3147
14	A"	1591	1591
15	A"	1132	1132
16	A"	863	863
17	A"	638	638
18	A"	183	183

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.460	0.000
C2	1.317	0.331	0.000
C3	-0.986	-0.706	0.000
H4	-0.445	1.460	0.000
H5	2.156	1.014	0.000
H6	-0.444	-1.656	0.000
H7	-1.627	-0.665	0.888
H8	-1.627	-0.665	-0.888

	C1	C2	C3	H4	H5	H6	H7	H8
C1		1.3233	1.5267	1.0944	2.2259	2.1624	2.1680	2.1680
C2	1.3233		2.5253	2.0928	1.0820	2.6553	3.2320	3.2320
C3	1.5267	2.5253		2.2321	3.5816	1.0939	1.0957	1.0957
H4	1.0944	2.0928	2.2321		2.6388	3.1161	2.5883	2.5883
H5	2.2259	1.0820	3.5816	2.6388		3.7272	4.2327	4.2327
H6	2.1624	2.6553	1.0939	3.1161	3.7272		1.7802	1.7802
H7	2.1680	3.2320	1.0957	2.5883	4.2327	1.7802		1.7753
H8	2.1680	3.2320	1.0957	2.5883	4.2327	1.7802	1.7753

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	135.218	C1	C3	H6	110.115
C1	C3	H7	110.444	C1	C3	H8	110.444
C2	C1	C3	124.610	C2	C1	H4	119.606
C3	C1	H4	115.784	H6	C3	H7	108.785
H6	C3	H8	108.785	H7	C3	H8	108.215

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

using model chemistry: ROMP2/3-21G

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: ROMP2/3-21G

States and conformations

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