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	hartrees
Energy at 0K	-118.072329
Energy at 298.15K
HF Energy	-117.642991
Nuclear repulsion energy	76.138533

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3373	3151	14.57
2	A	3257	3043	14.72
3	A	3233	3021	26.38
4	A	3228	3016	32.15
5	A	3156	2949	19.99
6	A	3132	2927	21.66
7	A	3074	2872	29.84
8	A	1570	1467	2.71
9	A	1562	1460	4.74
10	A	1540	1439	0.08
11	A	1534	1434	1.35
12	A	1467	1371	1.41
13	A	1413	1320	2.42
14	A	1321	1235	0.22
15	A	1223	1142	0.45
16	A	1131	1057	0.05
17	A	1096	1024	1.03
18	A	954	891	1.43
19	A	923	862	0.12
20	A	781	730	0.82
21	A	481	450	37.49
22	A	375	351	4.03
23	A	269	251	0.13
24	A	156	146	0.58

Atom	x (Å)	y (Å)	z (Å)
C1	1.293	-0.296	-0.044
C2	0.076	0.556	0.058
C3	-1.217	-0.246	-0.041
H4	-2.089	0.400	0.037
H5	-1.270	-0.774	-0.990
H6	-1.274	-0.985	0.757
H7	0.080	1.107	1.007
H8	0.098	1.320	-0.721
H9	2.246	0.130	-0.314
H10	1.295	-1.287	0.381

	C1	C2	C3	H4	H5	H6	H7	H8	H9	H10
C1		1.4891	2.5114	3.4546	2.7740	2.7762	2.1313	2.1209	1.0777	1.0788
C2	1.4891		1.5254	2.1714	2.1637	2.1647	1.0968	1.0913	2.2424	2.2331
C3	2.5114	1.5254		1.0880	1.0878	1.0887	2.1475	2.1547	3.4945	2.7518
H4	3.4546	2.1714	1.0880		1.7622	1.7612	2.4797	2.4905	4.3580	3.7970
H5	2.7740	2.1637	1.0878	1.7622		1.7593	3.0578	2.5152	3.6927	2.9528
H6	2.7762	2.1647	1.0887	1.7612	1.7593		2.5046	3.0620	3.8444	2.6133
H7	2.1313	1.0968	2.1475	2.4797	3.0578	2.5046		1.7412	2.7183	2.7565
H8	2.1209	1.0913	2.1547	2.4905	2.5152	3.0620	1.7412		2.4895	3.0730
H9	1.0777	2.2424	3.4945	4.3580	3.6927	3.8444	2.7183	2.4895		1.8429
H10	1.0788	2.2331	2.7518	3.7970	2.9528	2.6133	2.7565	3.0730	1.8429

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	112.831	C1	C2	H7	110.084
C1	C2	H8	109.590	C2	C1	H9	120.923
C2	C1	H10	119.982	C2	C3	H4	111.281
C2	C3	H5	110.668	C2	C3	H6	110.699
C3	C2	H7	108.864	C3	C2	H8	109.751
H4	C3	H5	108.176	H4	C3	H6	108.024
H5	C3	H6	107.869	H7	C2	H8	105.456
H9	C1	H10	117.429

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

using model chemistry: MP2=FULL/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=FULL/6-31G**

States and conformations

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