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	hartrees
Energy at 0K	-118.111806
Energy at 298.15K
HF Energy	-117.643050
Nuclear repulsion energy	76.046556

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3366	3366	16.92
2	A	3256	3256	14.91
3	A	3228	3228	31.31
4	A	3222	3222	38.46
5	A	3155	3155	22.19
6	A	3138	3138	23.11
7	A	3079	3079	33.53
8	A	1574	1574	2.52
9	A	1567	1567	4.35
10	A	1548	1548	0.36
11	A	1539	1539	0.73
12	A	1479	1479	1.25
13	A	1422	1422	2.97
14	A	1327	1327	0.22
15	A	1224	1224	0.51
16	A	1129	1129	0.02
17	A	1101	1101	1.07
18	A	954	954	1.04
19	A	921	921	0.07
20	A	784	784	0.58
21	A	477	477	36.58
22	A	376	376	4.15
23	A	264	264	0.10
24	A	151	151	0.55

Atom	x (Å)	y (Å)	z (Å)
C1	1.297	-0.295	-0.042
C2	0.076	0.557	0.058
C3	-1.220	-0.247	-0.040
H4	-2.091	0.400	0.036
H5	-1.272	-0.777	-0.988
H6	-1.277	-0.984	0.758
H7	0.080	1.110	1.004
H8	0.097	1.317	-0.724
H9	2.249	0.130	-0.313
H10	1.298	-1.291	0.375

	C1	C2	C3	H4	H5	H6	H7	H8	H9	H10
C1		1.4930	2.5173	3.4593	2.7799	2.7819	2.1336	2.1230	1.0777	1.0788
C2	1.4930		1.5279	2.1722	2.1659	2.1669	1.0960	1.0908	2.2460	2.2380
C3	2.5173	1.5279		1.0875	1.0875	1.0884	2.1495	2.1559	3.5001	2.7567
H4	3.4593	2.1722	1.0875		1.7618	1.7609	2.4805	2.4908	4.3622	3.8019
H5	2.7799	2.1659	1.0875	1.7618		1.7589	3.0592	2.5159	3.6983	2.9538
H6	2.7819	2.1669	1.0884	1.7609	1.7589		2.5070	3.0629	3.8499	2.6208
H7	2.1336	1.0960	2.1495	2.4805	3.0592	2.5070		1.7411	2.7208	2.7646
H8	2.1230	1.0908	2.1559	2.4908	2.5159	3.0629	1.7411		2.4921	3.0742
H9	1.0777	2.2460	3.5001	4.3622	3.6983	3.8499	2.7208	2.4921		1.8432
H10	1.0788	2.2380	2.7567	3.8019	2.9538	2.6208	2.7646	3.0742	1.8432

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	112.874	C1	C2	H7	110.046
C1	C2	H8	109.518	C2	C1	H9	120.927
C2	C1	H10	120.102	C2	C3	H4	111.193
C2	C3	H5	110.688	C2	C3	H6	110.715
C3	C2	H7	108.901	C3	C2	H8	109.703
H4	C3	H5	108.196	H4	C3	H6	108.054
H5	C3	H6	107.873	H7	C2	H8	105.536
H9	C1	H10	117.459

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

using model chemistry: MP3=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: MP3=FULL/6-31G**

States and conformations

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