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	hartrees
Energy at 0K	-118.139460
Energy at 298.15K
HF Energy	-117.652562
Nuclear repulsion energy	75.764028

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3290	3290	16.14
2	A	3185	3185	15.05
3	A	3157	3157	31.08
4	A	3152	3152	39.89
5	A	3093	3093	19.18
6	A	3075	3075	24.43
7	A	3019	3019	32.84
8	A	1544	1544	5.84
9	A	1538	1538	8.81
10	A	1524	1524	1.83
11	A	1504	1504	2.37
12	A	1454	1454	5.14
13	A	1398	1398	1.01
14	A	1310	1310	0.23
15	A	1206	1206	0.54
16	A	1117	1117	0.15
17	A	1087	1087	1.26
18	A	941	941	1.69
19	A	910	910	0.27
20	A	772	772	1.17
21	A	467	467	50.89
22	A	374	374	6.79
23	A	256	256	0.14
24	A	132	132	0.50

Atom	x (Å)	y (Å)	z (Å)
C1	1.302	-0.295	-0.038
C2	0.076	0.558	0.058
C3	-1.223	-0.247	-0.041
H4	-2.099	0.404	0.032
H5	-1.277	-0.783	-0.992
H6	-1.286	-0.985	0.764
H7	0.080	1.116	1.008
H8	0.099	1.322	-0.729
H9	2.257	0.129	-0.324
H10	1.301	-1.302	0.365

	C1	C2	C3	H4	H5	H6	H7	H8	H9	H10
C1		1.4969	2.5255	3.4720	2.7923	2.7956	2.1389	2.1300	1.0835	1.0846
C2	1.4969		1.5315	2.1797	2.1745	2.1764	1.1016	1.0960	2.2558	2.2489
C3	2.5255	1.5315		1.0932	1.0931	1.0940	2.1573	2.1641	3.5119	2.7658
H4	3.4720	2.1797	1.0932		1.7699	1.7682	2.4907	2.5002	4.3787	3.8182
H5	2.7923	2.1745	1.0931	1.7699		1.7679	3.0729	2.5279	3.7099	2.9590
H6	2.7956	2.1764	1.0940	1.7682	1.7679		2.5177	3.0774	3.8701	2.6367
H7	2.1389	1.1016	2.1573	2.4907	3.0729	2.5177		1.7489	2.7362	2.7837
H8	2.1300	1.0960	2.1641	2.5002	2.5279	3.0774	1.7489		2.4985	3.0861
H9	1.0835	2.2558	3.5119	4.3787	3.7099	3.8701	2.7362	2.4985		1.8535
H10	1.0846	2.2489	2.7658	3.8182	2.9590	2.6367	2.7837	3.0861	1.8535

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	113.006	C1	C2	H7	109.869
C1	C2	H8	109.494	C2	C1	H9	121.068
C2	C1	H10	120.352	C2	C3	H4	111.194
C2	C3	H5	110.785	C2	C3	H6	110.881
C3	C2	H7	108.939	C3	C2	H8	109.790
H4	C3	H5	108.097	H4	C3	H6	107.888
H5	C3	H6	107.862	H7	C2	H8	105.467
H9	C1	H10	117.498

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

using model chemistry: MP3=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: MP3=FULL/6-311G*

States and conformations

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