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	hartrees
Energy at 0K	-118.014359
Energy at 298.15K
HF Energy	-117.631333
Nuclear repulsion energy	75.947136

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3339	3146	13.94
2	A	3231	3044	13.54
3	A	3202	3017	25.37
4	A	3196	3012	30.21
5	A	3126	2945	19.39
6	A	3108	2929	20.35
7	A	3044	2868	28.53
8	A	1571	1480	3.84
9	A	1565	1474	6.00
10	A	1546	1457	1.11
11	A	1531	1443	1.06
12	A	1472	1387	2.62
13	A	1415	1333	1.66
14	A	1322	1246	0.26
15	A	1224	1153	0.51
16	A	1132	1067	0.05
17	A	1100	1036	1.17
18	A	956	900	1.94
19	A	923	870	0.20
20	A	786	740	1.29
21	A	478	450	43.16
22	A	378	357	5.10
23	A	266	251	0.14
24	A	152	143	0.61

Atom	x (Å)	y (Å)	z (Å)
C1	1.295	-0.295	-0.042
C2	0.077	0.557	0.059
C3	-1.219	-0.246	-0.041
H4	-2.095	0.403	0.036
H5	-1.271	-0.777	-0.995
H6	-1.277	-0.989	0.760
H7	0.080	1.112	1.011
H8	0.098	1.323	-0.725
H9	2.252	0.129	-0.319
H10	1.297	-1.293	0.380

	C1	C2	C3	H4	H5	H6	H7	H8	H9	H10
C1		1.4905	2.5140	3.4617	2.7792	2.7818	2.1368	2.1256	1.0827	1.0836
C2	1.4905		1.5274	2.1768	2.1695	2.1710	1.1019	1.0962	2.2489	2.2399
C3	2.5140	1.5274		1.0932	1.0928	1.0937	2.1534	2.1602	3.5017	2.7570
H4	3.4617	2.1768	1.0932		1.7702	1.7691	2.4863	2.4972	4.3696	3.8077
H5	2.7792	2.1695	1.0928	1.7702		1.7677	3.0687	2.5221	3.7000	2.9581
H6	2.7818	2.1710	1.0937	1.7691	1.7677		2.5131	3.0728	3.8555	2.6195
H7	2.1368	1.1019	2.1534	2.4863	3.0687	2.5131		1.7487	2.7297	2.7686
H8	2.1256	1.0962	2.1602	2.4972	2.5221	3.0728	1.7487		2.4957	3.0829
H9	1.0827	2.2489	3.5017	4.3696	3.7000	3.8555	2.7297	2.4957		1.8502
H10	1.0836	2.2399	2.7570	3.8077	2.9581	2.6195	2.7686	3.0829	1.8502

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	112.813	C1	C2	H7	110.123
C1	C2	H8	109.578	C2	C1	H9	121.030
C2	C1	H10	120.131	C2	C3	H4	111.249
C2	C3	H5	110.691	C2	C3	H6	110.756
C3	C2	H7	108.892	C3	C2	H8	109.752
H4	C3	H5	108.149	H4	C3	H6	107.985
H5	C3	H6	107.884	H7	C2	H8	105.416
H9	C1	H10	117.318

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

using model chemistry: MP2=FULL/6-31G*

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: MP2=FULL/6-31G*

States and conformations

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