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	hartrees
Energy at 0K	-118.112070
Energy at 298.15K
HF Energy	-117.640522
Nuclear repulsion energy	75.232426

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A	3275	3166
2	A	3164	3059
3	A	3140	3036
4	A	3135	3031
5	A	3066	2964
6	A	3048	2947
7	A	2986	2887
8	A	1498	1448
9	A	1490	1440
10	A	1470	1422
11	A	1462	1414
12	A	1408	1362
13	A	1358	1314
14	A	1270	1228
15	A	1176	1137
16	A	1104	1068
17	A	1054	1019
18	A	922	892
19	A	892	863
20	A	754	729
21	A	462	447
22	A	364	352
23	A	263	255
24	A	144	140

Atom	x (Å)	y (Å)	z (Å)
C1	1.306	-0.299	-0.042
C2	0.076	0.562	0.056
C3	-1.228	-0.247	-0.039
H4	-2.115	0.410	0.036
H5	-1.283	-0.791	-1.001
H6	-1.286	-0.994	0.775
H7	0.083	1.124	1.018
H8	0.100	1.336	-0.737
H9	2.279	0.139	-0.296
H10	1.297	-1.320	0.361

	C1	C2	C3	H4	H5	H6	H7	H8	H9	H10
C1		1.5039	2.5349	3.4941	2.8044	2.8057	2.1553	2.1473	1.0963	1.0977
C2	1.5039		1.5380	2.1964	2.1896	2.1896	1.1148	1.1090	2.2699	2.2629
C3	2.5349	1.5380		1.1057	1.1061	1.1069	2.1722	2.1814	3.5376	2.7723
H4	3.4941	2.1964	1.1057		1.7911	1.7900	2.5111	2.5220	4.4141	3.8383
H5	2.8044	2.1896	1.1061	1.7911		1.7881	3.1001	2.5508	3.7480	2.9645
H6	2.8057	2.1896	1.1069	1.7900	1.7881		2.5338	3.1049	3.8910	2.6359
H7	2.1553	1.1148	2.1722	2.5111	3.1001	2.5338		1.7685	2.7420	2.8066
H8	2.1473	1.1090	2.1814	2.5220	2.5508	3.1049	1.7685		2.5250	3.1131
H9	1.0963	2.2699	3.5376	4.4141	3.7480	3.8910	2.7420	2.5250		1.8772
H10	1.0977	2.2629	2.7723	3.8383	2.9645	2.6359	2.8066	3.1131	1.8772

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	112.884	C1	C2	H7	109.891
C1	C2	H8	109.604	C2	C1	H9	120.808
C2	C1	H10	120.060	C2	C3	H4	111.315
C2	C3	H5	110.745	C2	C3	H6	110.702
C3	C2	H7	108.893	C3	C2	H8	109.935
H4	C3	H5	108.148	H4	C3	H6	108.001
H5	C3	H6	107.801	H7	C2	H8	105.359
H9	C1	H10	117.643

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

using model chemistry: MP4/cc-pVDZ

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-pVDZ

States and conformations

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