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	hartrees
Energy at 0K	-118.240364
Energy at 298.15K
HF Energy	-117.675647
Nuclear repulsion energy	75.915007

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A	3269	3169
2	A	3162	3065
3	A	3120	3024
4	A	3114	3018
5	A	3047	2954
6	A	3037	2944
7	A	2975	2883
8	A	1512	1466
9	A	1505	1459
10	A	1483	1437
11	A	1477	1432
12	A	1410	1366
13	A	1364	1322
14	A	1277	1237
15	A	1180	1144
16	A	1097	1063
17	A	1057	1024
18	A	924	896
19	A	891	864
20	A	757	734
21	A	476	462
22	A	367	356
23	A	251	243
24	A	124	120

Atom	x (Å)	y (Å)	z (Å)
C1	1.297	-0.297	-0.032
C2	0.078	0.561	0.049
C3	-1.220	-0.246	-0.036
H4	-2.096	0.403	0.026
H5	-1.271	-0.797	-0.977
H6	-1.277	-0.971	0.780
H7	0.083	1.131	0.991
H8	0.103	1.314	-0.745
H9	2.261	0.126	-0.278
H10	1.266	-1.322	0.313

	C1	C2	C3	H4	H5	H6	H7	H8	H9	H10
C1		1.4929	2.5177	3.4648	2.7816	2.7820	2.1347	2.1281	1.0809	1.0820
C2	1.4929		1.5306	2.1796	2.1717	2.1716	1.1004	1.0949	2.2497	2.2421
C3	2.5177	1.5306		1.0915	1.0920	1.0926	2.1554	2.1648	3.5090	2.7316
H4	3.4648	2.1796	1.0915		1.7679	1.7678	2.4916	2.5019	4.3760	3.7896
H5	2.7816	2.1717	1.0920	1.7679		1.7653	3.0692	2.5291	3.7166	2.8944
H6	2.7820	2.1716	1.0926	1.7678	1.7653		2.5120	3.0741	3.8522	2.6096
H7	2.1347	1.1004	2.1554	2.4916	3.0692	2.5120		1.7458	2.7132	2.8059
H8	2.1281	1.0949	2.1648	2.5019	2.5291	3.0741	1.7458		2.5069	3.0693
H9	1.0809	2.2497	3.5090	4.3760	3.7166	3.8522	2.7132	2.5069		1.8535
H10	1.0820	2.2421	2.7316	3.7896	2.8944	2.6096	2.8059	3.0693	1.8535

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	112.747	C1	C2	H7	109.887
C1	C2	H8	109.690	C2	C1	H9	121.039
C2	C1	H10	120.247	C2	C3	H4	111.354
C2	C3	H5	110.690	C2	C3	H6	110.645
C3	C2	H7	108.919	C3	C2	H8	109.970
H4	C3	H5	108.132	H4	C3	H6	108.076
H5	C3	H6	107.817	H7	C2	H8	105.361
H9	C1	H10	117.956

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

using model chemistry: MP4/cc-pVTZ

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: MP4/cc-pVTZ

States and conformations

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