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	hartrees
Energy at 0K	-118.096782
Energy at 298.15K
HF Energy	-117.643037
Nuclear repulsion energy	75.972990

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3363	3129	17.16
2	A	3253	3027	15.03
3	A	3225	3001	31.82
4	A	3218	2995	39.12
5	A	3151	2932	22.31
6	A	3136	2918	23.15
7	A	3076	2863	33.78
8	A	1572	1463	2.46
9	A	1564	1455	4.26
10	A	1545	1438	0.35
11	A	1536	1429	0.67
12	A	1476	1374	1.17
13	A	1420	1321	3.12
14	A	1325	1233	0.22
15	A	1222	1137	0.51
16	A	1128	1049	0.02
17	A	1100	1023	1.06
18	A	953	886	1.01
19	A	920	856	0.07
20	A	783	728	0.55
21	A	474	441	36.14
22	A	374	348	4.43
23	A	263	245	0.12
24	A	151	141	0.56

Atom	x (Å)	y (Å)	z (Å)
C1	1.298	-0.296	-0.043
C2	0.075	0.558	0.058
C3	-1.221	-0.247	-0.040
H4	-2.092	0.401	0.047
H5	-1.279	-0.768	-0.994
H6	-1.274	-0.992	0.753
H7	0.082	1.108	1.007
H8	0.097	1.319	-0.725
H9	2.251	0.135	-0.310
H10	1.300	-1.292	0.375

	C1	C2	C3	H4	H5	H6	H7	H8	H9	H10
C1		1.4951	2.5197	3.4625	2.7872	2.7807	2.1340	2.1248	1.0792	1.0801
C2	1.4951		1.5288	2.1732	2.1679	2.1689	1.0967	1.0918	2.2470	2.2413
C3	2.5197	1.5288		1.0890	1.0888	1.0897	2.1511	2.1579	3.5034	2.7608
H4	3.4625	2.1732	1.0890		1.7646	1.7627	2.4790	2.4966	4.3661	3.8054
H5	2.7872	2.1679	1.0888	1.7646		1.7613	3.0618	2.5144	3.7073	2.9666
H6	2.7807	2.1689	1.0897	1.7627	1.7613		2.5116	3.0662	3.8499	2.6186
H7	2.1340	1.0967	2.1511	2.4790	3.0618	2.5116		1.7448	2.7181	2.7644
H8	2.1248	1.0918	2.1579	2.4966	2.5144	3.0662	1.7448		2.4927	3.0778
H9	1.0792	2.2470	3.5034	4.3661	3.7073	3.8499	2.7181	2.4927		1.8462
H10	1.0801	2.2413	2.7608	3.8054	2.9666	2.6186	2.7644	3.0778	1.8462

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	112.866	C1	C2	H7	109.889
C1	C2	H8	109.450	C2	C1	H9	120.726
C2	C1	H10	120.125	C2	C3	H4	111.120
C2	C3	H5	110.708	C2	C3	H6	110.733
C3	C2	H7	108.919	C3	C2	H8	109.736
H4	C3	H5	108.247	H4	C3	H6	108.012
H5	C3	H6	107.902	H7	C2	H8	105.733
H9	C1	H10	117.522

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

using model chemistry: MP3/6-31+G**

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: MP3/6-31+G**

States and conformations

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