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	hartrees
Energy at 0K	-118.117513
Energy at 298.15K
HF Energy	-117.645311
Nuclear repulsion energy	75.994455

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3359	3130	15.14
2	A	3250	3027	15.48
3	A	3215	2995	32.17
4	A	3210	2990	40.44
5	A	3149	2934	19.57
6	A	3127	2913	27.53
7	A	3069	2859	32.26
8	A	1559	1452	3.75
9	A	1552	1446	6.62
10	A	1536	1431	0.19
11	A	1530	1426	1.89
12	A	1471	1370	2.35
13	A	1413	1317	2.52
14	A	1315	1225	0.20
15	A	1219	1136	0.52
16	A	1124	1048	0.08
17	A	1093	1019	1.01
18	A	949	884	0.93
19	A	918	855	0.08
20	A	780	727	0.73
21	A	484	451	55.97
22	A	375	349	6.37
23	A	260	242	0.26
24	A	153	142	0.67

Atom	x (Å)	y (Å)	z (Å)
C1	1.299	-0.293	-0.039
C2	0.075	0.557	0.061
C3	-1.221	-0.248	-0.044
H4	-2.092	0.397	0.057
H5	-1.282	-0.755	-1.004
H6	-1.268	-1.004	0.739
H7	0.077	1.101	1.014
H8	0.099	1.322	-0.716
H9	2.242	0.122	-0.356
H10	1.308	-1.283	0.393

	C1	C2	C3	H4	H5	H6	H7	H8	H9	H10
C1		1.4939	2.5199	3.4612	2.7941	2.7747	2.1317	2.1236	1.0782	1.0795
C2	1.4939		1.5291	2.1725	2.1681	2.1681	1.0965	1.0909	2.2491	2.2398
C3	2.5199	1.5291		1.0883	1.0883	1.0891	2.1498	2.1582	3.4960	2.7668
H4	3.4612	2.1725	1.0883		1.7636	1.7619	2.4726	2.5003	4.3616	3.8066
H5	2.7941	2.1681	1.0883	1.7636		1.7610	3.0604	2.5111	3.6886	2.9896
H6	2.7747	2.1681	1.0891	1.7619	1.7610		2.5132	3.0652	3.8453	2.6142
H7	2.1317	1.0965	2.1498	2.4726	3.0604	2.5132		1.7438	2.7423	2.7539
H8	2.1236	1.0909	2.1582	2.5003	2.5111	3.0652	1.7438		2.4824	3.0788
H9	1.0782	2.2491	3.4960	4.3616	3.6886	3.8453	2.7423	2.4824		1.8458
H10	1.0795	2.2398	2.7668	3.8066	2.9896	2.6142	2.7539	3.0788	1.8458

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	112.933	C1	C2	H7	109.811
C1	C2	H8	109.503	C2	C1	H9	121.110
C2	C1	H10	120.147	C2	C3	H4	111.082
C2	C3	H5	110.734	C2	C3	H6	110.681
C3	C2	H7	108.814	C3	C2	H8	109.795
H4	C3	H5	108.244	H4	C3	H6	108.031
H5	C3	H6	107.953	H7	C2	H8	105.732
H9	C1	H10	117.621

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

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

States and conformations

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