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	hartrees
Energy at 0K	-117.035572
Energy at 298.15K	-117.039650
HF Energy	-116.471129
Nuclear repulsion energy	64.859850

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3296	3173
2	A'	3148	3031
3	A'	3077	2963
4	A'	3060	2946
5	A'	1921	1849
6	A'	1513	1457
7	A'	1411	1358
8	A'	1301	1253
9	A'	1129	1087
10	A'	954	918
11	A'	817	786
12	A'	388	374
13	A"	3113	2998
14	A"	1504	1448
15	A"	1104	1063
16	A"	928	893
17	A"	692	666
18	A"	218	210

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.443	0.000
C2	1.285	0.358	0.000
C3	-0.959	-0.711	0.000
H4	-0.448	1.434	0.000
H5	2.122	1.028	0.000
H6	-0.426	-1.657	0.000
H7	-1.602	-0.671	0.878
H8	-1.602	-0.671	-0.878

	C1	C2	C3	H4	H5	H6	H7	H8
C1		1.2877	1.4998	1.0884	2.2010	2.1426	2.1395	2.1395
C2	1.2877		2.4851	2.0404	1.0722	2.6435	3.1879	3.1879
C3	1.4998	2.4851		2.2049	3.5374	1.0859	1.0889	1.0889
H4	1.0884	2.0404	2.2049		2.6021	3.0916	2.5563	2.5563
H5	2.2010	1.0722	3.5374	2.6021		3.7018	4.1861	4.1861
H6	2.1426	2.6435	1.0859	3.0916	3.7018		1.7675	1.7675
H7	2.1395	3.1879	1.0889	2.5563	4.1861	1.7675		1.7558
H8	2.1395	3.1879	1.0889	2.5563	4.1861	1.7675	1.7558

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	137.531	C1	C3	H6	110.902
C1	C3	H7	110.471	C1	C3	H8	110.471
C2	C1	C3	125.961	C2	C1	H4	118.109
C3	C1	H4	115.930	H6	C3	H7	108.725
H6	C3	H8	108.725	H7	C3	H8	107.455

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

using model chemistry: MP4=FULL/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=FULL/cc-pVTZ

States and conformations

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