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	hartrees
Energy at 0K	-270.066629
Energy at 298.15K
HF Energy	-269.155826
Nuclear repulsion energy	259.748800

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3246	3084	10.52
2	A₁	3221	3060	19.82
3	A₁	3193	3034	2.22
4	A₁	3189	3030	7.59
5	A₁	1806	1716	69.23
6	A₁	1582	1503	15.81
7	A₁	1493	1418	6.40
8	A₁	1306	1241	3.50
9	A₁	1209	1149	3.19
10	A₁	1047	995	6.82
11	A₁	928	882	1.30
12	A₁	846	804	0.78
13	A₁	454	432	0.42
14	A₂	1060	1007	0.00
15	A₂	920	875	0.00
16	A₂	730	694	0.00
17	A₂	596	566	0.00
18	A₂	118	112	0.00
19	B₁	1094	1039	0.55
20	B₁	1030	978	1.55
21	B₁	791	752	13.71
22	B₁	666	633	69.93
23	B₁	451	428	49.79
24	B₁	305	290	1.57
25	B₂	3239	3077	18.84
26	B₂	3208	3048	34.72
27	B₂	3183	3025	1.05
28	B₂	1847	1755	30.83
29	B₂	1494	1420	10.91
30	B₂	1422	1351	0.02
31	B₂	1313	1247	0.19
32	B₂	1295	1231	0.83
33	B₂	981	932	4.01
34	B₂	901	856	3.13
35	B₂	419	398	0.64
36	B₂	2997i	2848i	547.99

Atom	y (Å)	z (Å)
C1	0.000	1.603
C2	1.252	1.028
C3	-1.252	1.028
C4	1.549	-0.391
C5	-1.549	-0.391
C6	0.709	-1.437
C7	-0.709	-1.437
H8	0.000	2.692
H9	2.106	1.696
H10	-2.106	1.696
H11	2.611	-0.630
H12	-2.611	-0.630
H13	1.176	-2.419
H14	-1.176	-2.419

	C1	C2	C3	C4	C5	C6	C7	H8	H9	H10	H11	H12	H13	H14
C1		1.3771	1.3771	2.5246	2.5246	3.1212	3.1212	1.0895	2.1076	2.1076	3.4354	3.4354	4.1903	4.1903
C2	1.3771		2.5032	1.4501	3.1396	2.5245	3.1497	2.0820	1.0842	3.4229	2.1443	4.2034	3.4484	4.2165
C3	1.3771	2.5032		3.1396	1.4501	3.1497	2.5245	2.0820	3.4229	1.0842	4.2034	2.1443	4.2165	3.4484
C4	2.5246	1.4501	3.1396		3.0978	1.3418	2.4881	3.4503	2.1602	4.2085	1.0885	4.1665	2.0623	3.3969
C5	2.5246	3.1396	1.4501	3.0978		2.4881	1.3418	3.4503	4.2085	2.1602	4.1665	1.0885	3.3969	2.0623
C6	3.1212	2.5245	3.1497	1.3418	2.4881		1.4171	4.1896	3.4307	4.2116	2.0663	3.4160	1.0877	2.1251
C7	3.1212	3.1497	2.5245	2.4881	1.3418	1.4171		4.1896	4.2116	3.4307	3.4160	2.0663	2.1251	1.0877
H8	1.0895	2.0820	2.0820	3.4503	3.4503	4.1896	4.1896		2.3292	2.3292	4.2254	4.2254	5.2449	5.2449
H9	2.1076	1.0842	3.4229	2.1602	4.2085	3.4307	4.2116	2.3292		4.2111	2.3808	5.2589	4.2192	5.2637
H10	2.1076	3.4229	1.0842	4.2085	2.1602	4.2116	3.4307	2.3292	4.2111		5.2589	2.3808	5.2637	4.2192
H11	3.4354	2.1443	4.2034	1.0885	4.1665	2.0663	3.4160	4.2254	2.3808	5.2589		5.2215	2.2933	4.1881
H12	3.4354	4.2034	2.1443	4.1665	1.0885	3.4160	2.0663	4.2254	5.2589	2.3808	5.2215		4.1881	2.2933
H13	4.1903	3.4484	4.2165	2.0623	3.3969	1.0877	2.1251	5.2449	4.2192	5.2637	2.2933	4.1881		2.3519
H14	4.1903	4.2165	3.4484	3.3969	2.0623	2.1251	1.0877	5.2449	5.2637	4.2192	4.1881	2.2933	2.3519

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

using model chemistry: MP2/6-311G**

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: MP2/6-311G**

States and conformations

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