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	hartrees
Energy at 0K	-265.837496
Energy at 298.15K
HF Energy	-265.837496
Nuclear repulsion energy	254.594720

Atom	y (Å)	z (Å)
C1	0.000	1.634
C2	1.281	1.025
C3	-1.281	1.025
C4	1.606	-0.379
C5	-1.606	-0.379
C6	0.762	-1.464
C7	-0.762	-1.464
H8	0.000	2.718
H9	2.128	1.700
H10	-2.128	1.700
H11	2.668	-0.600
H12	-2.668	-0.600
H13	1.209	-2.451
H14	-1.209	-2.451

	C1	C2	C3	C4	C5	C6	C7	H8	H9	H10	H11	H12	H13	H14
C1		1.4183	1.4183	2.5749	2.5749	3.1898	3.1898	1.0846	2.1288	2.1288	3.4794	3.4794	4.2596	4.2596
C2	1.4183		2.5617	1.4408	3.2099	2.5419	3.2194	2.1235	1.0834	3.4749	2.1360	4.2697	3.4759	4.2753
C3	1.4183	2.5617		3.2099	1.4408	3.2194	2.5419	2.1235	3.4749	1.0834	4.2697	2.1360	4.2753	3.4759
C4	2.5749	1.4408	3.2099		3.2118	1.3744	2.6045	3.4889	2.1438	4.2736	1.0846	4.2794	2.1092	3.4953
C5	2.5749	3.2099	1.4408	3.2118		2.6045	1.3744	3.4889	4.2736	2.1438	4.2794	1.0846	3.4953	2.1092
C6	3.1898	2.5419	3.2194	1.3744	2.6045		1.5239	4.2509	3.4462	4.2850	2.0925	3.5368	1.0836	2.2045
C7	3.1898	3.2194	2.5419	2.6045	1.3744	1.5239		4.2509	4.2850	3.4462	3.5368	2.0925	2.2045	1.0836
H8	1.0846	2.1235	2.1235	3.4889	3.4889	4.2509	4.2509		2.3587	2.3587	4.2576	4.2576	5.3085	5.3085
H9	2.1288	1.0834	3.4749	2.1438	4.2736	3.4462	4.2850	2.3587		4.2555	2.3627	5.3186	4.2513	5.3260
H10	2.1288	3.4749	1.0834	4.2736	2.1438	4.2850	3.4462	2.3587	4.2555		5.3186	2.3627	5.3260	4.2513
H11	3.4794	2.1360	4.2697	1.0846	4.2794	2.0925	3.5368	4.2576	2.3627	5.3186		5.3355	2.3563	4.2962
H12	3.4794	4.2697	2.1360	4.2794	1.0846	3.5368	2.0925	4.2576	5.3186	2.3627	5.3355		4.2962	2.3563
H13	4.2596	3.4759	4.2753	2.1092	3.4953	1.0836	2.2045	5.3085	4.2513	5.3260	2.3563	4.2962		2.4187
H14	4.2596	4.2753	3.4759	3.4953	2.1092	2.2045	1.0836	5.3085	5.3260	4.2513	4.2962	2.3563	2.4187

Number	Element	Mulliken
1	C	-0.054
2	C	-0.059
3	C	-0.059
4	C	-0.062
5	C	-0.062
6	C	-0.053
7	C	-0.053
8	H	0.059
9	H	0.056
10	H	0.056
11	H	0.060
12	H	0.060
13	H	0.057
14	H	0.057

	x	y	z	Total
	0.000	0.000	-0.038	0.038
CHELPG
AIM
ESP

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

using model chemistry: HF/STO-3G

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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<r²>	189.450
(<r²>)^1/2	13.764

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

using model chemistry: HF/STO-3G

States and conformations

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