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	hartrees
Energy at 0K	-118.062971
Energy at 298.15K
HF Energy	-117.645231
Nuclear repulsion energy	76.004324

Atom	x (Å)	y (Å)	z (Å)
C1	1.296	-0.295	-0.041
C2	0.076	0.557	0.059
C3	-1.220	-0.246	-0.042
H4	-2.092	0.400	0.051
H5	-1.279	-0.763	-0.999
H6	-1.270	-0.996	0.749
H7	0.081	1.105	1.011
H8	0.099	1.322	-0.721
H9	2.247	0.127	-0.327
H10	1.297	-1.290	0.380

	C1	C2	C3	H4	H5	H6	H7	H8	H9	H10
C1		1.4909	2.5159	3.4596	2.7870	2.7749	2.1311	2.1233	1.0793	1.0804
C2	1.4909		1.5278	2.1738	2.1674	2.1680	1.0985	1.0928	2.2466	2.2370
C3	2.5159	1.5278		1.0898	1.0897	1.0905	2.1503	2.1590	3.4987	2.7570
H4	3.4596	2.1738	1.0898		1.7656	1.7639	2.4774	2.4996	4.3644	3.8015
H5	2.7870	2.1674	1.0897	1.7656		1.7634	3.0622	2.5149	3.6987	2.9694
H6	2.7749	2.1680	1.0905	1.7639	1.7634		2.5116	3.0675	3.8459	2.6104
H7	2.1311	1.0985	2.1503	2.4774	3.0622	2.5116		1.7451	2.7274	2.7591
H8	2.1233	1.0928	2.1590	2.4996	2.5149	3.0675	1.7451		2.4896	3.0772
H9	1.0793	2.2466	3.4987	4.3644	3.6987	3.8459	2.7274	2.4896		1.8464
H10	1.0804	2.2370	2.7570	3.8015	2.9694	2.6104	2.7591	3.0772	1.8464

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	112.906	C1	C2	H7	109.857
C1	C2	H8	109.576	C2	C1	H9	121.044
C2	C1	H10	120.068	C2	C3	H4	111.191
C2	C3	H5	110.680	C2	C3	H6	110.683
C3	C2	H7	108.828	C3	C2	H8	109.832
H4	C3	H5	108.206	H4	C3	H6	107.998
H5	C3	H6	107.963	H7	C2	H8	105.579
H9	C1	H10	117.507

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

using model chemistry: MP2/6-31+G**

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: MP2/6-31+G**

States and conformations

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