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	hartrees
Energy at 0K	-118.153832
Energy at 298.15K
HF Energy	-117.663353
Nuclear repulsion energy	75.906992

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3314	3144	13.14
2	A	3201	3036	15.25
3	A	3175	3012	26.11
4	A	3170	3007	34.18
5	A	3108	2948	17.57
6	A	3081	2923	23.25
7	A	3027	2871	29.70
8	A	1527	1448	3.59
9	A	1519	1441	6.74
10	A	1496	1419	0.07
11	A	1491	1415	2.84
12	A	1429	1356	2.84
13	A	1380	1310	1.35
14	A	1294	1227	0.16
15	A	1198	1136	0.38
16	A	1118	1061	0.09
17	A	1071	1016	1.05
18	A	938	890	1.35
19	A	908	862	0.18
20	A	769	730	0.81
21	A	472	448	42.08
22	A	369	350	4.54
23	A	265	251	0.14
24	A	149	141	0.49

Atom	x (Å)	y (Å)	z (Å)
C1	1.296	-0.296	-0.042
C2	0.077	0.558	0.058
C3	-1.220	-0.246	-0.041
H4	-2.096	0.403	0.035
H5	-1.270	-0.778	-0.994
H6	-1.275	-0.987	0.762
H7	0.083	1.108	1.013
H8	0.100	1.325	-0.724
H9	2.253	0.129	-0.316
H10	1.289	-1.296	0.376

	C1	C2	C3	H4	H5	H6	H7	H8	H9	H10
C1		1.4924	2.5165	3.4645	2.7789	2.7809	2.1347	2.1276	1.0826	1.0837
C2	1.4924		1.5293	2.1788	2.1697	2.1707	1.1016	1.0958	2.2495	2.2386
C3	2.5165	1.5293		1.0931	1.0931	1.0939	2.1543	2.1628	3.5041	2.7519
H4	3.4645	2.1788	1.0931		1.7715	1.7706	2.4902	2.5000	4.3721	3.8034
H5	2.7789	2.1697	1.0931	1.7715		1.7684	3.0685	2.5244	3.7006	2.9486
H6	2.7809	2.1707	1.0939	1.7706	1.7684		2.5095	3.0734	3.8542	2.6115
H7	2.1347	1.1016	2.1543	2.4902	3.0685	2.5095		1.7507	2.7264	2.7647
H8	2.1276	1.0958	2.1628	2.5000	2.5244	3.0734	1.7507		2.4969	3.0819
H9	1.0826	2.2495	3.5041	4.3721	3.7006	3.8542	2.7264	2.4969		1.8546
H10	1.0837	2.2386	2.7519	3.8034	2.9486	2.6115	2.7647	3.0819	1.8546

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	112.773	C1	C2	H7	109.847
C1	C2	H8	109.626	C2	C1	H9	120.925
C2	C1	H10	119.841	C2	C3	H4	111.281
C2	C3	H5	110.560	C2	C3	H6	110.588
C3	C2	H7	108.857	C3	C2	H8	109.852
H4	C3	H5	108.255	H4	C3	H6	108.117
H5	C3	H6	107.926	H7	C2	H8	105.635
H9	C1	H10	117.762

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

using model chemistry: MP2=FULL/6-311G**

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/6-311G**

States and conformations

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