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	hartrees
Energy at 0K	-118.333317
Energy at 298.15K	-118.327323
HF Energy	-117.631434
Nuclear repulsion energy	75.881686

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3404	3207	28.42
2	A	3307	3116	20.81
3	A	3267	3078	53.28
4	A	3262	3074	66.15
5	A	3209	3024	25.57
6	A	3201	3016	35.59
7	A	3143	2961	50.85
8	A	1650	1555	2.17
9	A	1643	1548	4.06
10	A	1629	1535	0.19
11	A	1602	1510	0.60
12	A	1563	1473	0.97
13	A	1500	1414	4.05
14	A	1400	1319	0.22
15	A	1281	1207	0.71
16	A	1159	1092	1.29
17	A	1145	1079	0.36
18	A	994	936	0.78
19	A	941	886	0.05
20	A	823	775	0.41
21	A	485	457	36.11
22	A	392	369	4.11
23	A	270	254	0.13
24	A	153	144	0.87

Atom	x (Å)	y (Å)	z (Å)
C1	1.295	-0.295	-0.042
C2	0.077	0.557	0.059
C3	-1.219	-0.246	-0.041
H4	-2.095	0.403	0.036
H5	-1.271	-0.777	-0.995
H6	-1.277	-0.989	0.760
H7	0.080	1.112	1.011
H8	0.098	1.323	-0.725
H9	2.252	0.129	-0.319
H10	1.297	-1.293	0.380

	C1	C2	C3	H4	H5	H6	H7	H8	H9	H10
C1		1.4905	2.5140	3.4617	2.7792	2.7818	2.1368	2.1256	1.0827	1.0836
C2	1.4905		1.5274	2.1768	2.1695	2.1710	1.1019	1.0962	2.2489	2.2399
C3	2.5140	1.5274		1.0932	1.0928	1.0937	2.1534	2.1602	3.5017	2.7570
H4	3.4617	2.1768	1.0932		1.7702	1.7691	2.4863	2.4972	4.3696	3.8077
H5	2.7792	2.1695	1.0928	1.7702		1.7677	3.0687	2.5221	3.7000	2.9581
H6	2.7818	2.1710	1.0937	1.7691	1.7677		2.5131	3.0728	3.8555	2.6195
H7	2.1368	1.1019	2.1534	2.4863	3.0687	2.5131		1.7487	2.7297	2.7686
H8	2.1256	1.0962	2.1602	2.4972	2.5221	3.0728	1.7487		2.4957	3.0829
H9	1.0827	2.2489	3.5017	4.3696	3.7000	3.8555	2.7297	2.4957		1.8502
H10	1.0836	2.2399	2.7570	3.8077	2.9581	2.6195	2.7686	3.0829	1.8502

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	113.147	C1	C2	H7	109.550
C1	C2	H8	109.550	C2	C1	H9	120.327
C2	C1	H10	120.327	C2	C3	H4	110.919
C2	C3	H5	111.030	C2	C3	H6	111.030
C3	C2	H7	108.929	C3	C2	H8	108.929
H4	C3	H5	107.972	H4	C3	H6	107.972
H5	C3	H6	107.778	H7	C2	H8	106.517
H9	C1	H10	117.106

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

using model chemistry: G3

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: G3

States and conformations

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