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	hartrees
Energy at 0K	-117.285879
Energy at 298.15K
HF Energy	-116.981171
Nuclear repulsion energy	74.973100

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A	3241	3172
2	A	3135	3069
3	A	3103	3037
4	A	3095	3030
5	A	3043	2978
6	A	3028	2963
7	A	2970	2907
8	A	1582	1549
9	A	1578	1544
10	A	1558	1525
11	A	1523	1491
12	A	1469	1438
13	A	1397	1367
14	A	1331	1303
15	A	1213	1187
16	A	1104	1081
17	A	1043	1021
18	A	950	930
19	A	865	847
20	A	780	763
21	A	462	452
22	A	376	368
23	A	253	248
24	A	127	124

Atom	x (Å)	y (Å)	z (Å)
C1	1.314	-0.300	-0.039
C2	0.079	0.574	0.067
C3	-1.238	-0.256	-0.047
H4	-2.119	0.396	0.033
H5	-1.272	-0.777	-1.014
H6	-1.285	-1.008	0.754
H7	0.073	1.116	1.032
H8	0.099	1.340	-0.724
H9	2.257	0.101	-0.403
H10	1.325	-1.279	0.437

	C1	C2	C3	H4	H5	H6	H7	H8	H9	H10
C1		1.5169	2.5523	3.5037	2.8040	2.8073	2.1668	2.1529	1.0876	1.0888
C2	1.5169		1.5612	2.2055	2.1955	2.1984	1.1068	1.1014	2.2781	2.2638
C3	2.5523	1.5612		1.0994	1.0987	1.0998	2.1837	2.1893	3.5314	2.8020
H4	3.5037	2.2055	1.0994		1.7864	1.7859	2.5145	2.5263	4.4079	3.8515
H5	2.8040	2.1955	1.0987	1.7864		1.7834	3.0954	2.5388	3.6876	3.0169
H6	2.8073	2.1984	1.0998	1.7859	1.7834		2.5360	3.1001	3.8872	2.6427
H7	2.1668	1.1068	2.1837	2.5145	3.0954	2.5360		1.7706	2.8038	2.7678
H8	2.1529	1.1014	2.1893	2.5263	2.5388	3.1001	1.7706		2.5093	3.1164
H9	1.0876	2.2781	3.5314	4.4079	3.6876	3.8872	2.8038	2.5093		1.8652
H10	1.0888	2.2638	2.8020	3.8515	3.0169	2.6427	2.7678	3.1164	1.8652

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	112.019	C1	C2	H7	110.378
C1	C2	H8	109.600	C2	C1	H9	121.129
C2	C1	H10	119.732	C2	C3	H4	110.791
C2	C3	H5	110.047	C2	C3	H6	110.206
C3	C2	H7	108.669	C3	C2	H8	109.408
H4	C3	H5	108.720	H4	C3	H6	108.596
H5	C3	H6	108.423	H7	C2	H8	106.614
H9	C1	H10	117.957

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

using model chemistry: MP4=FULL/3-21G

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/3-21G

States and conformations

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