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	hartrees
Energy at 0K	-116.995881
Energy at 298.15K	-116.999990
HF Energy	-116.472148
Nuclear repulsion energy	64.561008

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3261	3174
2	A'	3133	3049
3	A'	3051	2969
4	A'	3032	2950
5	A'	1898	1847
6	A'	1506	1465
7	A'	1407	1369
8	A'	1283	1248
9	A'	1128	1098
10	A'	940	914
11	A'	829	807
12	A'	418	407
13	A"	3100	3017
14	A"	1494	1454
15	A"	1095	1066
16	A"	917	892
17	A"	676	658
18	A"	227	221

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.445	0.000
C2	1.290	0.361	0.000
C3	-0.961	-0.717	0.000
H4	-0.454	1.442	0.000
H5	2.125	1.045	0.000
H6	-0.425	-1.667	0.000
H7	-1.607	-0.678	0.882
H8	-1.607	-0.678	-0.882

	C1	C2	C3	H4	H5	H6	H7	H8
C1		1.2922	1.5078	1.0956	2.2082	2.1536	2.1494	2.1494
C2	1.2922		2.4959	2.0509	1.0793	2.6557	3.2013	3.2013
C3	1.5078	2.4959		2.2177	3.5538	1.0908	1.0935	1.0935
H4	1.0956	2.0509	2.2177		2.6092	3.1087	2.5692	2.5692
H5	2.2082	1.0793	3.5538	2.6092		3.7221	4.2041	4.2041
H6	2.1536	2.6557	1.0908	3.1087	3.7221		1.7757	1.7757
H7	2.1494	3.2013	1.0935	2.5692	4.2041	1.7757		1.7631
H8	2.1494	3.2013	1.0935	2.5692	4.2041	1.7757	1.7631

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	137.038	C1	C3	H6	110.925
C1	C3	H7	110.426	C1	C3	H8	110.426
C2	C1	C3	125.927	C2	C1	H4	118.149
C3	C1	H4	115.923	H6	C3	H7	108.765
H6	C3	H8	108.765	H7	C3	H8	107.441

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

using model chemistry: MP4/aug-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: MP4/aug-cc-pVTZ

States and conformations

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