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	hartrees
Energy at 0K	-20.835081
Energy at 298.15K
HF Energy	-20.488315
Nuclear repulsion energy	44.233673

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3312	3145	27.45
2	A	3197	3035	22.11
3	A	3187	3026	47.77
4	A	3181	3020	45.62
5	A	3138	2979	21.94
6	A	3086	2930	30.42
7	A	3053	2899	41.04
8	A	1533	1455	4.61
9	A	1527	1449	7.07
10	A	1513	1436	0.51
11	A	1499	1423	2.99
12	A	1444	1371	2.76
13	A	1384	1314	2.09
14	A	1301	1236	0.37
15	A	1199	1138	0.55
16	A	1115	1058	0.12
17	A	1078	1023	2.83
18	A	933	886	2.33
19	A	905	859	0.33
20	A	764	726	1.96
21	A	477	453	76.92
22	A	366	347	6.22
23	A	256	243	0.28
24	A	159	151	1.19

Atom	x (Å)	y (Å)	z (Å)
C1	1.327	-0.304	-0.058
C2	0.093	0.569	0.075
C3	-1.219	-0.245	-0.053
H4	-2.101	0.413	0.048
H5	-1.270	-0.747	-1.035
H6	-1.275	-1.021	0.732
H7	0.102	1.089	1.057
H8	0.120	1.362	-0.695
H9	2.291	0.130	-0.343
H10	1.334	-1.309	0.379

	C1	C2	C3	H4	H5	H6	H7	H8	H9	H10
C1		1.5172	2.5463	3.5036	2.8095	2.8117	2.1637	2.1527	1.0950	1.0959
C2	1.5172		1.5487	2.1996	2.1955	2.1975	1.1109	1.1055	2.2805	2.2712
C3	2.5463	1.5487		1.1050	1.1044	1.1052	2.1799	2.1879	3.5418	2.7991
H4	3.5036	2.1996	1.1050		1.7913	1.7911	2.5154	2.5274	4.4188	3.8567
H5	2.8095	2.1955	1.1044	1.7913		1.7882	3.1025	2.5485	3.7321	3.0158
H6	2.8117	2.1975	1.1052	1.7911	1.7882		2.5393	3.1080	3.8980	2.6480
H7	2.1637	1.1109	2.1799	2.5154	3.1025	2.5393		1.7734	2.7699	2.7790
H8	2.1527	1.1055	2.1879	2.5274	2.5485	3.1080	1.7734		2.5205	3.1235
H9	1.0950	2.2805	3.5418	4.4188	3.7321	3.8980	2.7699	2.5205		1.8726
H10	1.0959	2.2712	2.7991	3.8567	3.0158	2.6480	2.7790	3.1235	1.8726

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	112.301	C1	C2	H7	109.866
C1	C2	H8	109.321	C2	C1	H9	120.764
C2	C1	H10	119.852	C2	C3	H4	110.860
C2	C3	H5	110.570	C2	C3	H6	110.680
C3	C2	H7	108.980	C3	C2	H8	109.911
H4	C3	H5	108.330	H4	C3	H6	108.257
H5	C3	H6	108.047	H7	C2	H8	106.282
H9	C1	H10	117.447

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

using model chemistry: MP2/CEP-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/CEP-31G*

States and conformations

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