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	hartrees
Energy at 0K	-117.841566
Energy at 298.15K
HF Energy	-117.585670
Nuclear repulsion energy	75.163096

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3300	3157	22.55
2	A	3186	3049	17.37
3	A	3148	3012	37.09
4	A	3142	3007	42.18
5	A	3072	2939	24.43
6	A	3059	2927	25.36
7	A	2997	2868	35.76
8	A	1578	1510	4.16
9	A	1572	1504	5.55
10	A	1561	1494	1.24
11	A	1537	1471	0.45
12	A	1483	1419	2.21
13	A	1423	1361	1.57
14	A	1331	1273	0.20
15	A	1231	1178	0.45
16	A	1122	1074	0.46
17	A	1104	1056	0.72
18	A	961	919	1.86
19	A	905	866	0.16
20	A	797	762	1.44
21	A	477	457	43.48
22	A	379	362	5.92
23	A	253	242	0.10
24	A	134	129	0.50

Atom	x (Å)	y (Å)	z (Å)
C1	1.315	-0.296	-0.036
C2	0.078	0.564	0.062
C3	-1.236	-0.251	-0.043
H4	-2.114	0.405	0.032
H5	-1.285	-0.782	-1.004
H6	-1.296	-0.998	0.762
H7	0.074	1.124	1.017
H8	0.098	1.329	-0.731
H9	2.265	0.120	-0.361
H10	1.322	-1.297	0.390

	C1	C2	C3	H4	H5	H6	H7	H8	H9	H10
C1		1.5099	2.5512	3.5004	2.8156	2.8187	2.1603	2.1454	1.0872	1.0883
C2	1.5099		1.5496	2.1976	2.1915	2.1944	1.1074	1.1020	2.2716	2.2628
C3	2.5512	1.5496		1.0988	1.0985	1.0995	2.1751	2.1796	3.5351	2.7976
H4	3.5004	2.1976	1.0988		1.7807	1.7803	2.5045	2.5160	4.4059	3.8515
H5	2.8156	2.1915	1.0985	1.7807		1.7788	3.0922	2.5382	3.7185	3.0008
H6	2.8187	2.1944	1.0995	1.7803	1.7788		2.5381	3.0961	3.8977	2.6613
H7	2.1603	1.1074	2.1751	2.5045	3.0922	2.5381		1.7605	2.7764	2.7951
H8	2.1454	1.1020	2.1796	2.5160	2.5382	3.0961	1.7605		2.5083	3.1067
H9	1.0872	2.2716	3.5351	4.4059	3.7185	3.8977	2.7764	2.5083		1.8610
H10	1.0883	2.2628	2.7976	3.8515	3.0008	2.6613	2.7951	3.1067	1.8610

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	112.987	C1	C2	H7	110.314
C1	C2	H8	109.458	C2	C1	H9	121.153
C2	C1	H10	120.263	C2	C3	H4	111.002
C2	C3	H5	110.539	C2	C3	H6	110.711
C3	C2	H7	108.753	C3	C2	H8	109.409
H4	C3	H5	108.264	H4	C3	H6	108.167
H5	C3	H6	108.056	H7	C2	H8	105.655
H9	C1	H10	117.620

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

using model chemistry: MP2/6-31G

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: MP2/6-31G

States and conformations

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