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	hartrees
Energy at 0K	-118.163493
Energy at 298.15K
HF Energy	-117.648357
Nuclear repulsion energy	75.816921

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3301	3121	10.75
2	A	3195	3020	11.07
3	A	3168	2995	24.16
4	A	3163	2991	29.91
5	A	3097	2928	17.13
6	A	3086	2918	19.33
7	A	3021	2857	26.71
8	A	1538	1455	2.69
9	A	1531	1448	4.61
10	A	1511	1428	0.92
11	A	1491	1410	0.81
12	A	1442	1364	1.45
13	A	1388	1313	2.55
14	A	1298	1227	0.18
15	A	1197	1131	0.45
16	A	1107	1047	0.05
17	A	1075	1017	1.31
18	A	934	884	1.34
19	A	901	852	0.13
20	A	767	725	0.85
21	A	461	436	38.39
22	A	368	348	3.65
23	A	257	243	0.07
24	A	132	125	0.34

Atom	x (Å)	y (Å)	z (Å)
C1	1.299	-0.297	-0.037
C2	0.077	0.561	0.054
C3	-1.222	-0.247	-0.039
H4	-2.098	0.402	0.030
H5	-1.274	-0.789	-0.986
H6	-1.280	-0.980	0.770
H7	0.081	1.123	1.001
H8	0.101	1.321	-0.734
H9	2.259	0.128	-0.302
H10	1.285	-1.309	0.349

	C1	C2	C3	H4	H5	H6	H7	H8	H9	H10
C1		1.4959	2.5210	3.4685	2.7862	2.7876	2.1393	2.1308	1.0823	1.0834
C2	1.4959		1.5322	2.1808	2.1748	2.1751	1.1009	1.0954	2.2525	2.2461
C3	2.5210	1.5322		1.0923	1.0926	1.0933	2.1569	2.1656	3.5101	2.7500
H4	3.4685	2.1808	1.0923		1.7688	1.7678	2.4916	2.5025	4.3776	3.8044
H5	2.7862	2.1748	1.0926	1.7688		1.7659	3.0720	2.5307	3.7131	2.9328
H6	2.7876	2.1751	1.0933	1.7678	1.7659		2.5157	3.0767	3.8602	2.6207
H7	2.1393	1.1009	2.1569	2.4916	3.0720	2.5157		1.7470	2.7260	2.7912
H8	2.1308	1.0954	2.1656	2.5025	2.5307	3.0767	1.7470		2.5036	3.0813
H9	1.0823	2.2525	3.5101	4.3776	3.7131	3.8602	2.7260	2.5036		1.8535
H10	1.0834	2.2461	2.7500	3.8044	2.9328	2.6207	2.7912	3.0813	1.8535

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	112.716	C1	C2	H7	110.015
C1	C2	H8	109.664	C2	C1	H9	120.943
C2	C1	H10	120.265	C2	C3	H4	111.289
C2	C3	H5	110.795	C2	C3	H6	110.773
C3	C2	H7	108.897	C3	C2	H8	109.892
H4	C3	H5	108.109	H4	C3	H6	107.964
H5	C3	H6	107.777	H7	C2	H8	105.396
H9	C1	H10	117.706

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

using model chemistry: CCSD/6-31G(2df,p)

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: CCSD/6-31G(2df,p)

States and conformations

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