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	hartrees
Energy at 0K	-118.036392
Energy at 298.15K
HF Energy	-117.631271
Nuclear repulsion energy	75.770887

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3319	3115	15.93
2	A	3216	3019	13.73
3	A	3184	2988	29.19
4	A	3178	2983	35.52
5	A	3111	2920	21.32
6	A	3101	2911	21.33
7	A	3037	2851	31.57
8	A	1566	1470	3.90
9	A	1559	1463	5.89
10	A	1546	1451	0.91
11	A	1525	1431	0.95
12	A	1474	1383	2.72
13	A	1416	1329	1.89
14	A	1321	1240	0.26
15	A	1220	1145	0.57
16	A	1128	1059	0.04
17	A	1100	1033	1.24
18	A	952	894	1.55
19	A	919	863	0.17
20	A	785	737	1.04
21	A	471	442	42.42
22	A	377	354	5.57
23	A	261	245	0.12
24	A	146	137	0.57

Atom	x (Å)	y (Å)	z (Å)
C1	1.300	-0.296	-0.040
C2	0.076	0.559	0.058
C3	-1.222	-0.247	-0.041
H4	-2.098	0.404	0.035
H5	-1.275	-0.781	-0.994
H6	-1.281	-0.988	0.763
H7	0.079	1.117	1.009
H8	0.098	1.322	-0.730
H9	2.258	0.131	-0.317
H10	1.300	-1.300	0.371

	C1	C2	C3	H4	H5	H6	H7	H8	H9	H10
C1		1.4958	2.5226	3.4703	2.7882	2.7908	2.1412	2.1300	1.0843	1.0853
C2	1.4958		1.5312	2.1799	2.1740	2.1755	1.1026	1.0973	2.2548	2.2474
C3	2.5226	1.5312		1.0943	1.0941	1.0950	2.1579	2.1637	3.5113	2.7642
H4	3.4703	2.1799	1.0943		1.7724	1.7714	2.4901	2.5003	4.3788	3.8168
H5	2.7882	2.1740	1.0941	1.7724		1.7697	3.0738	2.5257	3.7105	2.9606
H6	2.7908	2.1755	1.0950	1.7714	1.7697		2.5186	3.0775	3.8658	2.6298
H7	2.1412	1.1026	2.1579	2.4901	3.0738	2.5186		1.7509	2.7342	2.7814
H8	2.1300	1.0973	2.1637	2.5003	2.5257	3.0775	1.7509		2.5008	3.0875
H9	1.0843	2.2548	3.5113	4.3788	3.7105	3.8658	2.7342	2.5008		1.8537
H10	1.0853	2.2474	2.7642	3.8168	2.9606	2.6298	2.7814	3.0875	1.8537

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	112.888	C1	C2	H7	110.063
C1	C2	H8	109.491	C2	C1	H9	121.011
C2	C1	H10	120.252	C2	C3	H4	111.165
C2	C3	H5	110.710	C2	C3	H6	110.777
C3	C2	H7	108.945	C3	C2	H8	109.709
H4	C3	H5	108.170	H4	C3	H6	108.015
H5	C3	H6	107.881	H7	C2	H8	105.477
H9	C1	H10	117.393

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

using model chemistry: MP3/6-31G*

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: MP3/6-31G*

States and conformations

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