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	hartrees
Energy at 0K	-269.885367
Energy at 298.15K
HF Energy	-269.146860
Nuclear repulsion energy	259.257100

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3311	3076	3.69
2	A₁	3299	3065	56.78
3	A₁	3273	3041	2.81
4	A₁	3266	3034	2.67
5	A₁	1784	1657	7.46
6	A₁	1612	1498	7.70
7	A₁	1547	1438	7.52
8	A₁	1354	1258	1.83
9	A₁	1226	1140	0.68
10	A₁	995	925	2.32
11	A₁	954	886	2.15
12	A₁	866	804	0.24
13	A₁	463	430	0.42
14	A₂	1049	975	0.00
15	A₂	893	830	0.00
16	A₂	778	723	0.00
17	A₂	594	552	0.00
18	A₂	144	134	0.00
19	B₁	1079	1002	0.09
20	B₁	1010	938	0.03
21	B₁	808	751	10.26
22	B₁	671	623	101.54
23	B₁	522	485	35.08
24	B₁	308	286	0.05
25	B₂	3302	3068	52.69
26	B₂	3284	3051	19.63
27	B₂	3264	3032	0.54
28	B₂	1730	1607	7.77
29	B₂	1557	1446	8.87
30	B₂	1484	1378	0.04
31	B₂	1373	1276	0.77
32	B₂	1306	1213	0.60
33	B₂	1002	931	1.15
34	B₂	940	874	3.33
35	B₂	433	403	0.57
36	B₂	1079i	1002i	30.25

Atom	y (Å)	z (Å)
C1	0.000	1.609
C2	1.254	1.021
C3	-1.254	1.021
C4	1.560	-0.388
C5	-1.560	-0.388
C6	0.727	-1.437
C7	-0.727	-1.437
H8	0.000	2.691
H9	2.103	1.687
H10	-2.103	1.687
H11	2.617	-0.618
H12	-2.617	-0.618
H13	1.184	-2.416
H14	-1.184	-2.416

	C1	C2	C3	C4	C5	C6	C7	H8	H9	H10	H11	H12	H13	H14
C1		1.3849	1.3849	2.5336	2.5336	3.1316	3.1316	1.0819	2.1040	2.1040	3.4361	3.4361	4.1957	4.1957
C2	1.3849		2.5077	1.4414	3.1466	2.5139	3.1571	2.0882	1.0789	3.4219	2.1317	4.2033	3.4380	4.2140
C3	1.3849	2.5077		3.1466	1.4414	3.1571	2.5139	2.0882	3.4219	1.0789	4.2033	2.1317	4.2140	3.4380
C4	2.5336	1.4414	3.1466		3.1199	1.3398	2.5165	3.4511	2.1445	4.2093	1.0816	4.1829	2.0634	3.4124
C5	2.5336	3.1466	1.4414	3.1199		2.5165	1.3398	3.4511	4.2093	2.1445	4.1829	1.0816	3.4124	2.0634
C6	3.1316	2.5139	3.1571	1.3398	2.5165		1.4544	4.1915	3.4136	4.2153	2.0592	3.4426	1.0804	2.1473
C7	3.1316	3.1571	2.5139	2.5165	1.3398	1.4544		4.1915	4.2153	3.4136	3.4426	2.0592	2.1473	1.0804
H8	1.0819	2.0882	2.0882	3.4511	3.4511	4.1915	4.1915		2.3298	2.3298	4.2186	4.2186	5.2426	5.2426
H9	2.1040	1.0789	3.4219	2.1445	4.2093	3.4136	4.2153	2.3298		4.2050	2.3621	5.2522	4.2052	5.2573
H10	2.1040	3.4219	1.0789	4.2093	2.1445	4.2153	3.4136	2.3298	4.2050		5.2522	2.3621	5.2573	4.2052
H11	3.4361	2.1317	4.2033	1.0816	4.1829	2.0592	3.4426	4.2186	2.3621	5.2522		5.2332	2.2991	4.2043
H12	3.4361	4.2033	2.1317	4.1829	1.0816	3.4426	2.0592	4.2186	5.2522	2.3621	5.2332		4.2043	2.2991
H13	4.1957	3.4380	4.2140	2.0634	3.4124	1.0804	2.1473	5.2426	4.2052	5.2573	2.2991	4.2043		2.3676
H14	4.1957	4.2140	3.4380	3.4124	2.0634	2.1473	1.0804	5.2426	5.2573	4.2052	4.2043	2.2991	2.3676

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

using model chemistry: CID/6-311G*

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: CID/6-311G*

States and conformations

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