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	hartrees
Energy at 0K	-118.301510
Energy at 298.15K
HF Energy	-117.678962
Nuclear repulsion energy	76.053830

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A	3272	3272
2	A	3167	3167
3	A	3121	3121
4	A	3115	3115
5	A	3047	3047
6	A	3039	3039
7	A	2978	2978
8	A	1512	1512
9	A	1506	1506
10	A	1489	1489
11	A	1477	1477
12	A	1415	1415
13	A	1367	1367
14	A	1281	1281
15	A	1182	1182
16	A	1100	1100
17	A	1058	1058
18	A	928	928
19	A	895	895
20	A	759	759
21	A	477	477
22	A	368	368
23	A	253	253
24	A	113	113

Atom	x (Å)	y (Å)	z (Å)
C1	1.295	-0.296	-0.029
C2	0.078	0.561	0.046
C3	-1.218	-0.245	-0.033
H4	-2.091	0.404	0.024
H5	-1.268	-0.801	-0.969
H6	-1.274	-0.962	0.786
H7	0.084	1.136	0.981
H8	0.104	1.306	-0.753
H9	2.260	0.127	-0.260
H10	1.256	-1.327	0.289

	C1	C2	C3	H4	H5	H6	H7	H8	H9	H10
C1		1.4906	2.5139	3.4583	2.7768	2.7768	2.1308	2.1239	1.0784	1.0795
C2	1.4906		1.5282	2.1747	2.1674	2.1671	1.0981	1.0930	2.2458	2.2384
C3	2.5139	1.5282		1.0893	1.0898	1.0904	2.1523	2.1610	3.5053	2.7194
H4	3.4583	2.1747	1.0893		1.7649	1.7650	2.4865	2.4966	4.3691	3.7774
H5	2.7768	2.1674	1.0898	1.7649		1.7627	3.0636	2.5233	3.7166	2.8689
H6	2.7768	2.1671	1.0904	1.7650	1.7627		2.5075	3.0679	3.8434	2.6043
H7	2.1308	1.0981	2.1523	2.4865	3.0636	2.5075		1.7427	2.7010	2.8146
H8	2.1239	1.0930	2.1610	2.4966	2.5233	3.0679	1.7427		2.5068	3.0570
H9	1.0784	2.2458	3.5053	4.3691	3.7166	3.8434	2.7010	2.5068		1.8501
H10	1.0795	2.2384	2.7194	3.7774	2.8689	2.6043	2.8146	3.0570	1.8501

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	112.758	C1	C2	H7	109.873
C1	C2	H8	109.629	C2	C1	H9	121.057
C2	C1	H10	120.295	C2	C3	H4	111.269
C2	C3	H5	110.648	C2	C3	H6	110.586
C3	C2	H7	108.974	C3	C2	H8	109.957
H4	C3	H5	108.180	H4	C3	H6	108.142
H5	C3	H6	107.900	H7	C2	H8	105.385
H9	C1	H10	118.046

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

using model chemistry: MP4=FULL/Def2TZVPP

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=FULL/Def2TZVPP

States and conformations

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