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	hartrees
Energy at 0K	-117.854196
Energy at 298.15K
HF Energy	-117.585932
Nuclear repulsion energy	75.251710

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3300	3086	24.13
2	A	3194	2987	16.52
3	A	3155	2950	40.14
4	A	3150	2946	47.10
5	A	3081	2882	19.28
6	A	3078	2878	32.31
7	A	3014	2819	39.03
8	A	1586	1483	4.70
9	A	1580	1478	5.87
10	A	1572	1470	1.20
11	A	1539	1439	0.63
12	A	1498	1401	2.76
13	A	1440	1347	1.36
14	A	1342	1255	0.19
15	A	1236	1156	0.55
16	A	1130	1056	0.78
17	A	1114	1042	0.57
18	A	967	904	1.66
19	A	911	852	0.13
20	A	804	752	1.25
21	A	479	448	44.02
22	A	383	359	5.41
23	A	251	235	0.07
24	A	124	116	0.39

Atom	x (Å)	y (Å)	z (Å)
C1	1.314	-0.296	-0.034
C2	0.076	0.564	0.059
C3	-1.234	-0.251	-0.041
H4	-2.111	0.405	0.030
H5	-1.284	-0.787	-0.997
H6	-1.295	-0.991	0.766
H7	0.074	1.128	1.010
H8	0.097	1.323	-0.736
H9	2.267	0.124	-0.344
H10	1.314	-1.306	0.368

	C1	C2	C3	H4	H5	H6	H7	H8	H9	H10
C1		1.5099	2.5489	3.4968	2.8140	2.8167	2.1571	2.1440	1.0863	1.0874
C2	1.5099		1.5464	2.1935	2.1886	2.1910	1.1051	1.1001	2.2705	2.2637
C3	2.5489	1.5464		1.0970	1.0969	1.0978	2.1717	2.1756	3.5343	2.7887
H4	3.4968	2.1935	1.0970		1.7772	1.7768	2.5016	2.5114	4.4031	3.8437
H5	2.8140	2.1886	1.0969	1.7772		1.7755	3.0880	2.5353	3.7237	2.9806
H6	2.8167	2.1910	1.0978	1.7768	1.7755		2.5346	3.0912	3.8945	2.6584
H7	2.1571	1.1051	2.1717	2.5016	3.0880	2.5346		1.7571	2.7655	2.8058
H8	2.1440	1.1001	2.1756	2.5114	2.5353	3.0912	1.7571		2.5105	3.1010
H9	1.0863	2.2705	3.5343	4.4031	3.7237	3.8945	2.7655	2.5105		1.8600
H10	1.0874	2.2637	2.7887	3.8437	2.9806	2.6584	2.8058	3.1010	1.8600

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	113.014	C1	C2	H7	110.192
C1	C2	H8	109.458	C2	C1	H9	121.116
C2	C1	H10	120.410	C2	C3	H4	111.017
C2	C3	H5	110.634	C2	C3	H6	110.770
C3	C2	H7	108.836	C3	C2	H8	109.423
H4	C3	H5	108.205	H4	C3	H6	108.107
H5	C3	H6	107.995	H7	C2	H8	105.650
H9	C1	H10	117.668

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

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

States and conformations

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