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	hartrees
Energy at 0K	-118.109315
Energy at 298.15K
HF Energy	-117.645174
Nuclear repulsion energy	75.814423

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3317	3135	17.21
2	A	3209	3034	17.03
3	A	3177	3004	35.13
4	A	3172	2999	43.65
5	A	3111	2941	20.96
6	A	3093	2924	29.71
7	A	3026	2861	34.50
8	A	1550	1465	3.45
9	A	1543	1459	5.93
10	A	1526	1442	0.35
11	A	1518	1435	1.32
12	A	1462	1382	1.73
13	A	1404	1327	2.77
14	A	1305	1234	0.17
15	A	1211	1145	0.54
16	A	1115	1054	0.07
17	A	1087	1028	0.95
18	A	942	891	0.83
19	A	910	861	0.05
20	A	775	733	0.71
21	A	482	456	54.30
22	A	372	352	6.17
23	A	258	244	0.27
24	A	146	138	0.65

Atom	x (Å)	y (Å)	z (Å)
C1	1.302	-0.293	-0.037
C2	0.075	0.558	0.063
C3	-1.223	-0.248	-0.045
H4	-2.097	0.398	0.057
H5	-1.284	-0.756	-1.009
H6	-1.272	-1.008	0.739
H7	0.075	1.103	1.019
H8	0.099	1.327	-0.715
H9	2.244	0.120	-0.370
H10	1.314	-1.284	0.399

	C1	C2	C3	H4	H5	H6	H7	H8	H9	H10
C1		1.4965	2.5250	3.4690	2.8009	2.7811	2.1374	2.1285	1.0816	1.0828
C2	1.4965		1.5320	2.1775	2.1733	2.1733	1.1002	1.0941	2.2548	2.2453
C3	2.5250	1.5320		1.0916	1.0915	1.0923	2.1542	2.1636	3.5017	2.7756
H4	3.4690	2.1775	1.0916		1.7688	1.7669	2.4770	2.5065	4.3704	3.8178
H5	2.8009	2.1733	1.0915	1.7688		1.7662	3.0681	2.5180	3.6911	3.0019
H6	2.7811	2.1733	1.0923	1.7669	1.7662		2.5190	3.0736	3.8551	2.6220
H7	2.1374	1.1002	2.1542	2.4770	3.0681	2.5190		1.7487	2.7568	2.7595
H8	2.1285	1.0941	2.1636	2.5065	2.5180	3.0736	1.7487		2.4851	3.0879
H9	1.0816	2.2548	3.5017	4.3704	3.6911	3.8551	2.7568	2.4851		1.8518
H10	1.0828	2.2453	2.7756	3.8178	3.0019	2.6220	2.7595	3.0879	1.8518

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	112.966	C1	C2	H7	109.863
C1	C2	H8	109.517	C2	C1	H9	121.155
C2	C1	H10	120.187	C2	C3	H4	111.078
C2	C3	H5	110.747	C2	C3	H6	110.700
C3	C2	H7	108.739	C3	C2	H8	109.826
H4	C3	H5	108.235	H4	C3	H6	108.011
H5	C3	H6	107.953	H7	C2	H8	105.669
H9	C1	H10	117.649

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

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

States and conformations

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