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	hartrees
Energy at 0K	-117.845449
Energy at 298.15K
HF Energy	-117.585696
Nuclear repulsion energy	75.176565

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3300	3135	22.50
2	A	3187	3028	17.34
3	A	3149	2992	36.89
4	A	3143	2986	42.01
5	A	3072	2919	24.39
6	A	3060	2907	25.28
7	A	2998	2848	35.65
8	A	1578	1499	4.17
9	A	1572	1494	5.57
10	A	1561	1483	1.27
11	A	1537	1461	0.44
12	A	1483	1409	2.25
13	A	1423	1352	1.55
14	A	1331	1264	0.20
15	A	1231	1169	0.45
16	A	1123	1067	0.45
17	A	1104	1049	0.73
18	A	961	913	1.88
19	A	905	860	0.16
20	A	797	757	1.43
21	A	481	457	43.84
22	A	379	360	5.54
23	A	254	241	0.10
24	A	135	129	0.51

Atom	x (Å)	y (Å)	z (Å)
C1	1.314	-0.296	-0.037
C2	0.078	0.564	0.062
C3	-1.236	-0.251	-0.043
H4	-2.114	0.405	0.032
H5	-1.284	-0.781	-1.004
H6	-1.296	-0.998	0.762
H7	0.074	1.123	1.017
H8	0.098	1.329	-0.731
H9	2.265	0.121	-0.359
H10	1.321	-1.297	0.391

	C1	C2	C3	H4	H5	H6	H7	H8	H9	H10
C1		1.5096	2.5505	3.4997	2.8148	2.8179	2.1600	2.1451	1.0871	1.0882
C2	1.5096		1.5493	2.1973	2.1910	2.1940	1.1073	1.1018	2.2712	2.2624
C3	2.5505	1.5493		1.0987	1.0984	1.0993	2.1746	2.1793	3.5347	2.7969
H4	3.4997	2.1973	1.0987		1.7805	1.7801	2.5042	2.5157	4.4054	3.8506
H5	2.8148	2.1910	1.0984	1.7805		1.7786	3.0916	2.5378	3.7186	3.0001
H6	2.8179	2.1940	1.0993	1.7801	1.7786		2.5376	3.0956	3.8968	2.6603
H7	2.1600	1.1073	2.1746	2.5042	3.0916	2.5376		1.7603	2.7752	2.7944
H8	2.1451	1.1018	2.1793	2.5157	2.5378	3.0956	1.7603		2.5086	3.1064
H9	1.0871	2.2712	3.5347	4.4054	3.7186	3.8968	2.7752	2.5086		1.8606
H10	1.0882	2.2624	2.7969	3.8506	3.0001	2.6603	2.7944	3.1064	1.8606

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	112.975	C1	C2	H7	110.317
C1	C2	H8	109.470	C2	C1	H9	121.152
C2	C1	H10	120.256	C2	C3	H4	111.007
C2	C3	H5	110.533	C2	C3	H6	110.710
C3	C2	H7	108.745	C3	C2	H8	109.413
H4	C3	H5	108.264	H4	C3	H6	108.167
H5	C3	H6	108.055	H7	C2	H8	105.655
H9	C1	H10	117.598

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)