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	hartrees
Energy at 0K	-117.883399
Energy at 298.15K
HF Energy	-117.584934
Nuclear repulsion energy	74.938159

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3240	3109	23.95
2	A	3134	3008	16.71
3	A	3095	2970	38.93
4	A	3090	2965	44.96
5	A	3019	2897	24.20
6	A	3017	2894	26.04
7	A	2951	2832	36.93
8	A	1558	1495	4.31
9	A	1552	1489	5.42
10	A	1544	1482	1.11
11	A	1512	1451	0.50
12	A	1469	1410	2.48
13	A	1411	1354	1.39
14	A	1316	1263	0.19
15	A	1213	1164	0.49
16	A	1110	1065	0.64
17	A	1093	1048	0.59
18	A	949	910	1.59
19	A	894	857	0.12
20	A	789	757	1.16
21	A	475	456	42.86
22	A	377	361	5.11
23	A	247	237	0.07
24	A	123	118	0.38

Atom	x (Å)	y (Å)	z (Å)
C1	1.319	-0.297	-0.034
C2	0.077	0.566	0.060
C3	-1.239	-0.252	-0.042
H4	-2.120	0.407	0.030
H5	-1.287	-0.789	-1.003
H6	-1.300	-0.997	0.769
H7	0.073	1.133	1.016
H8	0.098	1.330	-0.740
H9	2.276	0.123	-0.350
H10	1.319	-1.311	0.373

	C1	C2	C3	H4	H5	H6	H7	H8	H9	H10
C1		1.5148	2.5581	3.5106	2.8241	2.8270	2.1667	2.1525	1.0918	1.0929
C2	1.5148		1.5526	2.2029	2.1975	2.2001	1.1111	1.1059	2.2800	2.2724
C3	2.5581	1.5526		1.1025	1.1024	1.1033	2.1812	2.1850	3.5480	2.7998
H4	3.5106	2.2029	1.1025		1.7867	1.7863	2.5117	2.5222	4.4212	3.8599
H5	2.8241	2.1975	1.1024	1.7867		1.7848	3.1020	2.5454	3.7358	2.9935
H6	2.8270	2.2001	1.1033	1.7863	1.7848		2.5458	3.1052	3.9104	2.6675
H7	2.1667	1.1111	2.1812	2.5117	3.1020	2.5458		1.7663	2.7811	2.8174
H8	2.1525	1.1059	2.1850	2.5222	2.5454	3.1052	1.7663		2.5200	3.1148
H9	1.0918	2.2800	3.5480	4.4212	3.7358	3.9104	2.7811	2.5200		1.8692
H10	1.0929	2.2724	2.7998	3.8599	2.9935	2.6675	2.8174	3.1148	1.8692

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	113.013	C1	C2	H7	110.261
C1	C2	H8	109.450	C2	C1	H9	121.173
C2	C1	H10	120.395	C2	C3	H4	110.993
C2	C3	H5	110.578	C2	C3	H6	110.731
C3	C2	H7	108.811	C3	C2	H8	109.398
H4	C3	H5	108.249	H4	C3	H6	108.156
H5	C3	H6	108.028	H7	C2	H8	105.640
H9	C1	H10	117.652

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

using model chemistry: CCD/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: CCD/6-31G

States and conformations

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