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	hartrees
Energy at 0K	-118.156181
Energy at 298.15K
HF Energy	-117.672656
Nuclear repulsion energy	76.132631

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3327	3169	11.71
2	A	3212	3060	14.89
3	A	3177	3027	26.16
4	A	3174	3023	34.29
5	A	3114	2967	16.26
6	A	3084	2938	23.87
7	A	3029	2886	28.55
8	A	1530	1458	3.35
9	A	1521	1450	6.70
10	A	1509	1437	0.74
11	A	1496	1425	2.44
12	A	1438	1370	2.25
13	A	1390	1324	1.78
14	A	1295	1234	0.17
15	A	1207	1150	0.37
16	A	1113	1060	0.11
17	A	1076	1025	1.22
18	A	941	897	1.12
19	A	911	868	0.11
20	A	774	737	0.83
21	A	481	458	49.39
22	A	370	353	5.68
23	A	264	251	0.22
24	A	160	153	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	1.293	-0.294	-0.040
C2	0.077	0.556	0.062
C3	-1.217	-0.246	-0.044
H4	-2.089	0.402	0.034
H5	-1.267	-0.769	-0.998
H6	-1.275	-0.990	0.751
H7	0.080	1.098	1.016
H8	0.101	1.323	-0.715
H9	2.237	0.120	-0.356
H10	1.297	-1.282	0.395

	C1	C2	C3	H4	H5	H6	H7	H8	H9	H10
C1		1.4871	2.5102	3.4536	2.7742	2.7758	2.1272	2.1195	1.0786	1.0797
C2	1.4871		1.5261	2.1718	2.1647	2.1667	1.0978	1.0918	2.2430	2.2313
C3	2.5102	1.5261		1.0894	1.0893	1.0900	2.1479	2.1563	3.4874	2.7539
H4	3.4536	2.1718	1.0894		1.7642	1.7646	2.4811	2.4910	4.3530	3.7988
H5	2.7742	2.1647	1.0893	1.7642		1.7626	3.0594	2.5158	3.6718	2.9623
H6	2.7758	2.1667	1.0900	1.7646	1.7626		2.5039	3.0648	3.8465	2.6129
H7	2.1272	1.0978	2.1479	2.4811	3.0594	2.5039		1.7458	2.7373	2.7447
H8	2.1195	1.0918	2.1563	2.4910	2.5158	3.0648	1.7458		2.4780	3.0742
H9	1.0786	2.2430	3.4874	4.3530	3.6718	3.8465	2.7373	2.4780		1.8480
H10	1.0797	2.2313	2.7539	3.7988	2.9623	2.6129	2.7447	3.0742	1.8480

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	112.823	C1	C2	H7	109.843
C1	C2	H8	109.591	C2	C1	H9	121.084
C2	C1	H10	119.914	C2	C3	H4	111.172
C2	C3	H5	110.608	C2	C3	H6	110.726
C3	C2	H7	108.793	C3	C2	H8	109.794
H4	C3	H5	108.141	H4	C3	H6	108.125
H5	C3	H6	107.953	H7	C2	H8	105.750
H9	C1	H10	117.803

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

using model chemistry: MP2=FULL/TZVP

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: MP2=FULL/TZVP

States and conformations

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