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	hartrees
Energy at 0K	-118.114667
Energy at 298.15K
HF Energy	-117.640404
Nuclear repulsion energy	75.191459

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A	3253	3184
2	A	3145	3078
3	A	3129	3062
4	A	3123	3057
5	A	3053	2989
6	A	3041	2976
7	A	2971	2908
8	A	1495	1463
9	A	1487	1455
10	A	1465	1434
11	A	1459	1428
12	A	1407	1377
13	A	1356	1327
14	A	1267	1240
15	A	1173	1148
16	A	1101	1077
17	A	1052	1030
18	A	920	901
19	A	889	871
20	A	753	737
21	A	460	450
22	A	363	356
23	A	262	257
24	A	139	136

Atom	x (Å)	y (Å)	z (Å)
C1	1.307	-0.298	-0.041
C2	0.076	0.562	0.056
C3	-1.229	-0.247	-0.039
H4	-2.115	0.410	0.034
H5	-1.283	-0.793	-1.001
H6	-1.287	-0.994	0.776
H7	0.082	1.126	1.018
H8	0.100	1.336	-0.739
H9	2.280	0.139	-0.299
H10	1.297	-1.322	0.358

	C1	C2	C3	H4	H5	H6	H7	H8	H9	H10
C1		1.5046	2.5362	3.4956	2.8057	2.8071	2.1568	2.1482	1.0975	1.0989
C2	1.5046		1.5387	2.1971	2.1905	2.1906	1.1155	1.1096	2.2718	2.2651
C3	2.5362	1.5387		1.1062	1.1067	1.1074	2.1731	2.1825	3.5395	2.7732
H4	3.4956	2.1971	1.1062		1.7921	1.7910	2.5115	2.5229	4.4164	3.8401
H5	2.8057	2.1905	1.1067	1.7921		1.7890	3.1015	2.5520	3.7488	2.9631
H6	2.8071	2.1906	1.1074	1.7910	1.7890		2.5350	3.1064	3.8939	2.6377
H7	2.1568	1.1155	2.1731	2.5115	3.1015	2.5350		1.7693	2.7463	2.8119
H8	2.1482	1.1096	2.1825	2.5229	2.5520	3.1064	1.7693		2.5257	3.1147
H9	1.0975	2.2718	3.5395	4.4164	3.7488	3.8939	2.7463	2.5257		1.8796
H10	1.0989	2.2651	2.7732	3.8401	2.9631	2.6377	2.8119	3.1147	1.8796

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	112.893	C1	C2	H7	109.920
C1	C2	H8	109.599	C2	C1	H9	120.837
C2	C1	H10	120.117	C2	C3	H4	111.294
C2	C3	H5	110.739	C2	C3	H6	110.704
C3	C2	H7	108.872	C3	C2	H8	109.942
H4	C3	H5	108.160	H4	C3	H6	108.012
H5	C3	H6	107.803	H7	C2	H8	105.337
H9	C1	H10	117.690

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

using model chemistry: CCSD(T)/cc-pVDZ

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(T)/cc-pVDZ

States and conformations

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