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	hartrees
Energy at 0K
Energy at 298.15K	0.014521
HF Energy	0.014521
Nuclear repulsion energy	54.576233

Atom	x (Å)	y (Å)	z (Å)
C1	1.274	-0.300	0.000
C2	0.086	0.553	-0.000
C3	-1.207	-0.233	0.000
H4	-2.078	0.434	0.001
H5	-1.287	-0.878	-0.884
H6	-1.286	-0.880	0.883
H7	0.130	1.224	0.883
H8	0.130	1.224	-0.883
H9	2.267	0.132	0.000
H10	1.203	-1.380	-0.000

	C1	C2	C3	H4	H5	H6	H7	H8	H9	H10
C1		1.4626	2.4819	3.4319	2.7711	2.7703	2.1003	2.1002	1.0823	1.0823
C2	1.4626		1.5128	2.1674	2.1719	2.1718	1.1101	1.1101	2.2208	2.2322
C3	2.4819	1.5128		1.0974	1.0978	1.0978	2.1654	2.1654	3.4925	2.6687
H4	3.4319	2.1674	1.0974		1.7696	1.7697	2.5056	2.5064	4.3553	3.7491
H5	2.7711	2.1719	1.0978	1.7696		1.7677	3.0908	2.5354	3.7994	2.6898
H6	2.7703	2.1718	1.0978	1.7697	1.7677		2.5361	3.0908	3.7985	2.6885
H7	2.1003	1.1101	2.1654	2.5056	3.0908	2.5361		1.7666	2.5567	2.9514
H8	2.1002	1.1101	2.1654	2.5064	2.5354	3.0908	1.7666		2.5568	2.9511
H9	1.0823	2.2208	3.4925	4.3553	3.7994	3.7985	2.5567	2.5568		1.8486
H10	1.0823	2.2322	2.6687	3.7491	2.6898	2.6885	2.9514	2.9511	1.8486

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	113.043	C1	C2	H7	108.676
C1	C2	H8	108.666	C2	C1	H9	120.812
C2	C1	H10	121.885	C2	C3	H4	111.278
C2	C3	H5	111.606	C2	C3	H6	111.604
C3	C2	H7	110.351	C3	C2	H8	110.354
H4	C3	H5	107.441	H4	C3	H6	107.444
H5	C3	H6	107.235	H7	C2	H8	105.450
H9	C1	H10	117.302

All results from a given calculation for C₃H₇ (n-Propyl radical)

using model chemistry: PM3

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 C3H7 (n-Propyl radical)

using model chemistry: PM3

States and conformations

All results from a given calculation for C₃H₇ (n-Propyl radical)