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	hartrees
Energy at 0K	-118.053155
Energy at 298.15K
HF Energy	-117.630922
Nuclear repulsion energy	75.621717

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A	3284	3135
2	A	3181	3037
3	A	3142	3000
4	A	3136	2994
5	A	3065	2926
6	A	3057	2919
7	A	2986	2851
8	A	1551	1481
9	A	1545	1475
10	A	1529	1460
11	A	1511	1443
12	A	1456	1390
13	A	1399	1336
14	A	1306	1247
15	A	1208	1153
16	A	1116	1065
17	A	1088	1039
18	A	942	900
19	A	909	868
20	A	775	740
21	A	468	447
22	A	373	356
23	A	261	249
24	A	145	138

Atom	x (Å)	y (Å)	z (Å)
C1	1.301	-0.296	-0.040
C2	0.076	0.559	0.059
C3	-1.224	-0.248	-0.041
H4	-2.103	0.405	0.034
H5	-1.276	-0.783	-0.998
H6	-1.283	-0.992	0.765
H7	0.078	1.119	1.014
H8	0.099	1.327	-0.730
H9	2.261	0.129	-0.324
H10	1.302	-1.301	0.376

	C1	C2	C3	H4	H5	H6	H7	H8	H9	H10
C1		1.4970	2.5256	3.4767	2.7922	2.7947	2.1463	2.1344	1.0870	1.0880
C2	1.4970		1.5338	2.1854	2.1787	2.1802	1.1067	1.1010	2.2589	2.2506
C3	2.5256	1.5338		1.0977	1.0975	1.0984	2.1623	2.1692	3.5163	2.7686
H4	3.4767	2.1854	1.0977		1.7778	1.7768	2.4956	2.5070	4.3874	3.8243
H5	2.7922	2.1787	1.0975	1.7778		1.7751	3.0816	2.5326	3.7138	2.9670
H6	2.7947	2.1802	1.0984	1.7768	1.7751		2.5239	3.0859	3.8729	2.6327
H7	2.1463	1.1067	2.1623	2.4956	3.0816	2.5239		1.7562	2.7445	2.7860
H8	2.1344	1.1010	2.1692	2.5070	2.5326	3.0859	1.7562		2.5048	3.0951
H9	1.0870	2.2589	3.5163	4.3874	3.7138	3.8729	2.7445	2.5048		1.8584
H10	1.0880	2.2506	2.7686	3.8243	2.9670	2.6327	2.7860	3.0951	1.8584

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	112.873	C1	C2	H7	110.132
C1	C2	H8	109.541	C2	C1	H9	121.079
C2	C1	H10	120.235	C2	C3	H4	111.213
C2	C3	H5	110.696	C2	C3	H6	110.760
C3	C2	H7	108.876	C3	C2	H8	109.744
H4	C3	H5	108.162	H4	C3	H6	108.012
H5	C3	H6	107.874	H7	C2	H8	105.404
H9	C1	H10	117.388

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

using model chemistry: MP4/6-31G*

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: MP4/6-31G*

States and conformations

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