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	hartrees
Energy at 0K	-270.067428
Energy at 298.15K
HF Energy	-269.121597
Nuclear repulsion energy	255.605863

Atom	y (Å)	z (Å)
C1	0.000	1.628
C2	1.271	1.033
C3	-1.271	1.033
C4	1.584	-0.386
C5	-1.584	-0.386
C6	0.735	-1.461
C7	-0.735	-1.461
H8	0.000	2.727
H9	2.131	1.712
H10	-2.131	1.712
H11	2.657	-0.621
H12	-2.657	-0.621
H13	1.201	-2.454
H14	-1.201	-2.454

	C1	C2	C3	C4	C5	C6	C7	H8	H9	H10	H11	H12	H13	H14
C1		1.4038	1.4038	2.5619	2.5619	3.1748	3.1748	1.0993	2.1331	2.1331	3.4809	3.4809	4.2550	4.2550
C2	1.4038		2.5429	1.4526	3.1884	2.5506	3.2008	2.1182	1.0960	3.4701	2.1574	4.2625	3.4876	4.2748
C3	1.4038	2.5429		3.1884	1.4526	3.2008	2.5506	2.1182	3.4701	1.0960	4.2625	2.1574	4.2748	3.4876
C4	2.5619	1.4526	3.1884		3.1679	1.3696	2.5563	3.4926	2.1683	4.2668	1.0987	4.2477	2.1034	3.4694
C5	2.5619	3.1884	1.4526	3.1679		2.5563	1.3696	3.4926	4.2668	2.1683	4.2477	1.0987	3.4694	2.1034
C6	3.1748	2.5506	3.2008	1.3696	2.5563		1.4707	4.2518	3.4665	4.2762	2.0975	3.4950	1.0973	2.1767
C7	3.1748	3.2008	2.5506	2.5563	1.3696	1.4707		4.2518	4.2762	3.4665	3.4950	2.0975	2.1767	1.0973
H8	1.0993	2.1182	2.1182	3.4926	3.4926	4.2518	4.2518		2.3607	2.3607	4.2741	4.2741	5.3186	5.3186
H9	2.1331	1.0960	3.4701	2.1683	4.2668	3.4665	4.2762	2.3607		4.2629	2.3914	5.3267	4.2689	5.3354
H10	2.1331	3.4701	1.0960	4.2668	2.1683	4.2762	3.4665	2.3607	4.2629		5.3267	2.3914	5.3354	4.2689
H11	3.4809	2.1574	4.2625	1.0987	4.2477	2.0975	3.4950	4.2741	2.3914	5.3267		5.3145	2.3411	4.2721
H12	3.4809	4.2625	2.1574	4.2477	1.0987	3.4950	2.0975	4.2741	5.3267	2.3914	5.3145		4.2721	2.3411
H13	4.2550	3.4876	4.2748	2.1034	3.4694	1.0973	2.1767	5.3186	4.2689	5.3354	2.3411	4.2721		2.4029
H14	4.2550	4.2748	3.4876	3.4694	2.1034	2.1767	1.0973	5.3186	5.3354	4.2689	4.2721	2.3411	2.4029

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

using model chemistry: QCISD/cc-pVDZ

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: QCISD/cc-pVDZ

States and conformations

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