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	hartrees
Energy at 0K	-270.656879
Energy at 298.15K	-270.649772
HF Energy	-269.101562
Nuclear repulsion energy	257.705783

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A₁	3370	3176	1.81	450.46	0.11	0.20
2	A₁	3358	3164	91.42	8.46	0.12	0.22
3	A₁	3346	3153	1.39	142.19	0.75	0.85
4	A₁	3323	3131	2.18	14.93	0.15	0.27
5	A₁	1842	1736	0.66	76.19	0.12	0.22
6	A₁	1658	1562	0.36	45.66	0.72	0.84
7	A₁	1600	1507	2.77	1.84	0.33	0.49
8	A₁	1400	1319	0.14	10.30	0.27	0.42
9	A₁	1305	1230	0.34	2.91	0.24	0.38
10	A₁	1009	951	0.19	2.57	0.75	0.86
11	A₁	977	921	2.16	3.31	0.10	0.19
12	A₁	860	810	0.15	9.98	0.11	0.20
13	A₁	442	416	0.46	2.39	0.74	0.85
14	A₂	1124	1059	0.00	3.34	0.75	0.86
15	A₂	1021	962	0.00	0.48	0.75	0.86
16	A₂	776	731	0.00	11.71	0.75	0.86
17	A₂	574	541	0.00	0.86	0.75	0.86
18	A₂	301	284	0.00	0.53	0.75	0.86
19	B₁	1016	957	0.03	0.01	0.75	0.86
20	B₁	879	828	3.18	5.74	0.75	0.86
21	B₁	811	764	1.29	5.17	0.75	0.86
22	B₁	669	630	89.45	0.38	0.75	0.86
23	B₁	532	501	15.63	0.34	0.75	0.86
24	B₁	162	152	0.01	0.11	0.75	0.86
25	B₂	3873	3649	0.52	3150.47	0.75	0.86
26	B₂	3357	3163	91.43	9.43	0.75	0.86
27	B₂	3327	3135	4.98	42.92	0.75	0.86
28	B₂	3306	3115	2.82	0.01	0.75	0.86
29	B₂	1626	1532	1.47	29.10	0.75	0.86
30	B₂	1590	1498	3.80	27.48	0.75	0.86
31	B₂	1534	1445	0.18	0.01	0.75	0.86
32	B₂	1402	1321	0.06	3.86	0.75	0.86
33	B₂	1245	1173	0.17	0.20	0.75	0.86
34	B₂	990	933	0.26	1.45	0.75	0.86
35	B₂	969	913	5.24	0.52	0.75	0.86
36	B₂	469	442	0.47	5.63	0.75	0.86

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

using model chemistry: G3

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: G3

States and conformations

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