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	hartrees
Energy at 0K	-117.999121
Energy at 298.15K
HF Energy	-117.631501
Nuclear repulsion energy	75.923745

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3353	3098	17.35
2	A	3251	3003	14.32
3	A	3217	2972	32.55
4	A	3212	2967	39.50
5	A	3148	2908	21.53
6	A	3137	2897	24.21
7	A	3076	2841	34.97
8	A	1588	1467	3.65
9	A	1581	1460	5.63
10	A	1568	1449	0.74
11	A	1545	1427	0.88
12	A	1499	1384	2.50
13	A	1440	1330	2.04
14	A	1343	1240	0.24
15	A	1237	1143	0.62
16	A	1139	1052	0.05
17	A	1117	1032	1.26
18	A	965	891	1.41
19	A	929	858	0.14
20	A	796	735	0.93
21	A	473	436	41.59
22	A	382	352	5.53
23	A	264	244	0.12
24	A	144	133	0.59

Atom	x (Å)	y (Å)	z (Å)
C1	1.299	-0.295	-0.041
C2	0.075	0.558	0.058
C3	-1.220	-0.247	-0.040
H4	-2.094	0.403	0.035
H5	-1.275	-0.780	-0.991
H6	-1.281	-0.986	0.762
H7	0.079	1.114	1.006
H8	0.097	1.319	-0.728
H9	2.253	0.132	-0.314
H10	1.300	-1.296	0.369

	C1	C2	C3	H4	H5	H6	H7	H8	H9	H10
C1		1.4945	2.5193	3.4644	2.7855	2.7879	2.1368	2.1262	1.0812	1.0821
C2	1.4945		1.5279	2.1748	2.1701	2.1713	1.0990	1.0939	2.2501	2.2441
C3	2.5193	1.5279		1.0912	1.0911	1.0919	2.1525	2.1581	3.5048	2.7611
H4	3.4644	2.1748	1.0912		1.7665	1.7654	2.4843	2.4940	4.3696	3.8107
H5	2.7855	2.1701	1.0911	1.7665		1.7642	3.0665	2.5205	3.7061	2.9578
H6	2.7879	2.1713	1.0919	1.7654	1.7642		2.5132	3.0699	3.8594	2.6292
H7	2.1368	1.0990	2.1525	2.4843	3.0665	2.5132		1.7455	2.7260	2.7758
H8	2.1262	1.0939	2.1581	2.4940	2.5205	3.0699	1.7455		2.4957	3.0808
H9	1.0812	2.2501	3.5048	4.3696	3.7061	3.8594	2.7260	2.4957		1.8484
H10	1.0821	2.2441	2.7611	3.8107	2.9578	2.6292	2.7758	3.0808	1.8484

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	112.925	C1	C2	H7	110.019
C1	C2	H8	109.486	C2	C1	H9	120.927
C2	C1	H10	120.301	C2	C3	H4	111.179
C2	C3	H5	110.808	C2	C3	H6	110.858
C3	C2	H7	108.957	C3	C2	H8	109.694
H4	C3	H5	108.093	H4	C3	H6	107.935
H5	C3	H6	107.835	H7	C2	H8	105.491
H9	C1	H10	117.397

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)