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	hartrees
Energy at 0K	-116.384595
Energy at 298.15K
HF Energy	-116.240756
Nuclear repulsion energy	74.567915

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3624	3221	2.95
2	A	3557	3162	3.65
3	A	3555	3160	3.73
4	A	3490	3102	3.69
5	A	3455	3071	2.89
6	A	3376	3001	3.90
7	A	3374	3000	3.84
8	A	1744	1550	0.91
9	A	1736	1544	1.17
10	A	1714	1524	0.02
11	A	1655	1471	5.73
12	A	1625	1444	0.48
13	A	1544	1372	8.43
14	A	1433	1274	0.13
15	A	1312	1166	0.53
16	A	1198	1065	0.32
17	A	1197	1064	0.64
18	A	1025	911	1.44
19	A	983	874	0.18
20	A	848	754	1.02
21	A	597	530	9.06
22	A	390	346	0.58
23	A	241	214	0.03
24	A	172	153	0.58

Atom	x (Å)	y (Å)	z (Å)
C1	1.323	-0.314	-0.079
C2	0.077	0.567	0.064
C3	-1.248	-0.251	-0.041
H4	-2.124	0.410	0.077
H5	-1.323	-0.752	-1.021
H6	-1.291	-1.024	0.745
H7	0.095	1.095	1.041
H8	0.089	1.351	-0.718
H9	2.291	0.171	-0.261
H10	1.354	-1.267	0.465

	C1	C2	C3	H4	H5	H6	H7	H8	H9	H10
C1		1.5325	2.5723	3.5251	2.8421	2.8310	2.1787	2.1688	1.0977	1.0978
C2	1.5325		1.5614	2.2064	2.2083	2.2066	1.1108	1.1071	2.2721	2.2708
C3	2.5723	1.5614		1.1033	1.1032	1.1034	2.1883	2.1940	3.5709	2.8391
H4	3.5251	2.2064	1.1033		1.7884	1.7883	2.5143	2.5321	4.4336	3.8805
H5	2.8421	2.2083	1.1032	1.7884		1.7870	3.1104	2.5509	3.8057	3.1041
H6	2.8310	2.2066	1.1034	1.7883	1.7870		2.5499	3.1123	3.9075	2.6707
H7	2.1787	1.1108	2.1883	2.5143	3.1104	2.5499		1.7774	2.7149	2.7382
H8	2.1688	1.1071	2.1940	2.5321	2.5509	3.1123	1.7774		2.5396	3.1393
H9	1.0977	2.2721	3.5709	4.4336	3.8057	3.9075	2.7149	2.5396		1.8635
H10	1.0978	2.2708	2.8391	3.8805	3.1041	2.6707	2.7382	3.1393	1.8635

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	112.483	C1	C2	H7	109.991
C1	C2	H8	109.445	C2	C1	H9	118.566
C2	C1	H10	118.449	C2	C3	H4	110.610
C2	C3	H5	110.772	C2	C3	H6	110.627
C3	C2	H7	108.781	C3	C2	H8	109.432
H4	C3	H5	108.295	H4	C3	H6	108.275
H5	C3	H6	108.170	H7	C2	H8	106.530
H9	C1	H10	116.160

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

using model chemistry: MP2=FULL/STO-3G

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/STO-3G

States and conformations

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