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	hartrees
Energy at 0K	-20.699014
Energy at 298.15K
HF Energy	-20.447830
Nuclear repulsion energy	44.003383

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3220	3143	30.69
2	A	3092	3018	25.92
3	A	3074	3000	51.91
4	A	3069	2995	61.27
5	A	3013	2941	24.78
6	A	2965	2894	35.91
7	A	2929	2858	50.32
8	A	1533	1496	4.88
9	A	1524	1488	6.84
10	A	1513	1476	1.15
11	A	1495	1459	0.81
12	A	1445	1411	2.70
13	A	1388	1354	2.18
14	A	1284	1253	0.12
15	A	1205	1176	0.43
16	A	1090	1064	0.40
17	A	1068	1042	1.08
18	A	922	900	1.30
19	A	883	862	0.19
20	A	766	748	1.23
21	A	473	462	55.75
22	A	358	349	7.40
23	A	240	234	0.19
24	A	140	137	1.16

Atom	x (Å)	y (Å)	z (Å)
C1	1.344	-0.300	-0.044
C2	0.094	0.573	0.083
C3	-1.232	-0.250	-0.058
H4	-2.113	0.408	0.038
H5	-1.272	-0.745	-1.043
H6	-1.294	-1.028	0.723
H7	0.087	1.093	1.065
H8	0.122	1.363	-0.690
H9	2.284	0.112	-0.420
H10	1.364	-1.296	0.407

	C1	C2	C3	H4	H5	H6	H7	H8	H9	H10
C1		1.5298	2.5763	3.5292	2.8355	2.8416	2.1790	2.1623	1.0927	1.0940
C2	1.5298		1.5671	2.2135	2.2073	2.2133	1.1111	1.1053	2.2936	2.2836
C3	2.5763	1.5671		1.1034	1.1030	1.1040	2.1924	2.1985	3.5526	2.8378
H4	3.5292	2.2135	1.1034		1.7897	1.7890	2.5233	2.5370	4.4302	3.8900
H5	2.8355	2.2073	1.1030	1.7897		1.7884	3.1099	2.5519	3.7103	3.0593
H6	2.8416	2.2133	1.1040	1.7890	1.7884		2.5544	3.1170	3.9245	2.6905
H7	2.1790	1.1111	2.1924	2.5233	3.1099	2.5544		1.7754	2.8268	2.7883
H8	2.1623	1.1053	2.1985	2.5370	2.5519	3.1170	1.7754		2.5125	3.1336
H9	1.0927	2.2936	3.5526	4.4302	3.7103	3.9245	2.8268	2.5125		1.8736
H10	1.0940	2.2836	2.8378	3.8900	3.0593	2.6905	2.7883	3.1336	1.8736

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	112.583	C1	C2	H7	110.188
C1	C2	H8	109.223	C2	C1	H9	121.091
C2	C1	H10	120.082	C2	C3	H4	110.772
C2	C3	H5	110.306	C2	C3	H6	110.723
C3	C2	H7	108.700	C3	C2	H8	109.499
H4	C3	H5	108.419	H4	C3	H6	108.280
H5	C3	H6	108.257	H7	C2	H8	106.460
H9	C1	H10	117.931

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

using model chemistry: MP2/CEP-121G

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/CEP-121G

States and conformations

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