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	hartrees
Energy at 0K	-269.976131
Energy at 298.15K
HF Energy	-269.098366
Nuclear repulsion energy	259.170785

Atom	y (Å)	z (Å)
C1	0.000	1.609
C2	1.253	1.026
C3	-1.253	1.026
C4	1.555	-0.392
C5	-1.555	-0.392
C6	0.719	-1.438
C7	-0.719	-1.438
H8	0.000	2.698
H9	2.109	1.694
H10	-2.109	1.694
H11	2.619	-0.624
H12	-2.619	-0.624
H13	1.179	-2.424
H14	-1.179	-2.424

	C1	C2	C3	C4	C5	C6	C7	H8	H9	H10	H11	H12	H13	H14
C1		1.3815	1.3815	2.5338	2.5338	3.1302	3.1302	1.0897	2.1108	2.1108	3.4414	3.4414	4.2014	4.2014
C2	1.3815		2.5057	1.4503	3.1459	2.5216	3.1562	2.0891	1.0858	3.4276	2.1426	4.2090	3.4513	4.2214
C3	1.3815	2.5057		3.1459	1.4503	3.1562	2.5216	2.0891	3.4276	1.0858	4.2090	2.1426	4.2214	3.4513
C4	2.5338	1.4503	3.1459		3.1101	1.3391	2.5030	3.4594	2.1586	4.2164	1.0890	4.1805	2.0666	3.4065
C5	2.5338	3.1459	1.4503	3.1101		2.5030	1.3391	3.4594	4.2164	2.1586	4.1805	1.0890	3.4065	2.0666
C6	3.1302	2.5216	3.1562	1.3391	2.5030		1.4379	4.1983	3.4269	4.2200	2.0670	3.4357	1.0881	2.1388
C7	3.1302	3.1562	2.5216	2.5030	1.3391	1.4379		4.1983	4.2200	3.4269	3.4357	2.0670	2.1388	1.0881
H8	1.0897	2.0891	2.0891	3.4594	3.4594	4.1983	4.1983		2.3358	2.3358	4.2305	4.2305	5.2562	5.2562
H9	2.1108	1.0858	3.4276	2.1586	4.2164	3.4269	4.2200	2.3358		4.2181	2.3738	5.2658	4.2220	5.2699
H10	2.1108	3.4276	1.0858	4.2164	2.1586	4.2200	3.4269	2.3358	4.2181		5.2658	2.3738	5.2699	4.2220
H11	3.4414	2.1426	4.2090	1.0890	4.1805	2.0670	3.4357	4.2305	2.3738	5.2658		5.2380	2.3051	4.2029
H12	3.4414	4.2090	2.1426	4.1805	1.0890	3.4357	2.0670	4.2305	5.2658	2.3738	5.2380		4.2029	2.3051
H13	4.2014	3.4513	4.2214	2.0666	3.4065	1.0881	2.1388	5.2562	4.2220	5.2699	2.3051	4.2029		2.3580
H14	4.2014	4.2214	3.4513	3.4065	2.0666	2.1388	1.0881	5.2562	5.2699	4.2220	4.2029	2.3051	2.3580

All results from a given calculation for C₇H₇ (cycloheptatrienyl radical)

using model chemistry: MP3/6-31G*

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 C7H7 (cycloheptatrienyl radical)

using model chemistry: MP3/6-31G*

States and conformations

All results from a given calculation for C₇H₇ (cycloheptatrienyl radical)