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	hartrees
Energy at 0K	-118.222633
Energy at 298.15K
HF Energy	-117.683676
Nuclear repulsion energy	76.268465

Atom	x (Å)	y (Å)	z (Å)
C1	1.290	-0.295	-0.031
C2	0.078	0.559	0.048
C3	-1.214	-0.244	-0.035
H4	-2.087	0.402	0.025
H5	-1.264	-0.795	-0.971
H6	-1.270	-0.964	0.780
H7	0.085	1.128	0.985
H8	0.104	1.309	-0.744
H9	2.252	0.125	-0.269
H10	1.255	-1.320	0.302

	C1	C2	C3	H4	H5	H6	H7	H8	H9	H10
C1		1.4843	2.5042	3.4482	2.7673	2.7675	2.1235	2.1185	1.0771	1.0781
C2	1.4843		1.5232	2.1706	2.1618	2.1616	1.0965	1.0912	2.2395	2.2312
C3	2.5042	1.5232		1.0876	1.0880	1.0886	2.1465	2.1564	3.4937	2.7140
H4	3.4482	2.1706	1.0876		1.7615	1.7615	2.4824	2.4922	4.3578	3.7695
H5	2.7673	2.1618	1.0880	1.7615		1.7591	3.0569	2.5198	3.7023	2.8711
H6	2.7675	2.1616	1.0886	1.7615	1.7591		2.5008	3.0620	3.8336	2.5945
H7	2.1235	1.0965	2.1465	2.4824	3.0569	2.5008		1.7388	2.6977	2.7978
H8	2.1185	1.0912	2.1564	2.4922	2.5198	3.0620	1.7388		2.4986	3.0545
H9	1.0771	2.2395	3.4937	4.3578	3.7023	3.8336	2.6977	2.4986		1.8467
H10	1.0781	2.2312	2.7140	3.7695	2.8711	2.5945	2.7978	3.0545	1.8467

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	112.738	C1	C2	H7	109.823
C1	C2	H8	109.744	C2	C1	H9	121.115
C2	C1	H10	120.259	C2	C3	H4	111.390
C2	C3	H5	110.665	C2	C3	H6	110.611
C3	C2	H7	108.951	C3	C2	H8	110.041
H4	C3	H5	108.127	H4	C3	H6	108.079
H5	C3	H6	107.843	H7	C2	H8	105.272
H9	C1	H10	117.927

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

using model chemistry: MP2/aug-cc-pVQZ

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/aug-cc-pVQZ

States and conformations

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