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	hartrees
Energy at 0K	-270.037143
Energy at 298.15K
HF Energy	-269.111440
Nuclear repulsion energy	259.104305

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3276	3072	10.24
2	A₁	3259	3055	41.93
3	A₁	3231	3029	2.67
4	A₁	3226	3025	7.04
5	A₁	1817	1703	21.92
6	A₁	1602	1502	9.01
7	A₁	1528	1432	3.17
8	A₁	1335	1252	2.09
9	A₁	1220	1144	1.67
10	A₁	1019	955	2.47
11	A₁	938	880	2.20
12	A₁	862	808	0.46
13	A₁	457	428	0.45
14	A₂	1059	993	0.00
15	A₂	907	850	0.00
16	A₂	755	708	0.00
17	A₂	594	557	0.00
18	A₂	134	126	0.00
19	B₁	1086	1019	0.30
20	B₁	1022	958	0.34
21	B₁	803	753	7.72
22	B₁	664	623	58.77
23	B₁	491	460	30.91
24	B₁	302	284	0.27
25	B₂	3268	3064	36.38
26	B₂	3244	3042	34.10
27	B₂	3223	3022	0.21
28	B₂	1777	1666	10.59
29	B₂	1533	1437	5.63
30	B₂	1459	1368	0.01
31	B₂	1345	1261	0.41
32	B₂	1307	1226	0.70
33	B₂	993	931	1.07
34	B₂	919	862	2.86
35	B₂	425	398	0.58
36	B₂	1753i	1644i	60.37

Atom	y (Å)	z (Å)
C1	0.000	1.610
C2	1.254	1.027
C3	-1.254	1.027
C4	1.557	-0.392
C5	-1.557	-0.392
C6	0.721	-1.439
C7	-0.721	-1.439
H8	0.000	2.695
H9	2.106	1.692
H10	-2.106	1.692
H11	2.617	-0.624
H12	-2.617	-0.624
H13	1.179	-2.421
H14	-1.179	-2.421

	C1	C2	C3	C4	C5	C6	C7	H8	H9	H10	H11	H12	H13	H14
C1		1.3828	1.3828	2.5363	2.5363	3.1333	3.1333	1.0854	2.1076	2.1076	3.4405	3.4405	4.2002	4.2002
C2	1.3828		2.5074	1.4507	3.1485	2.5226	3.1590	2.0873	1.0815	3.4250	2.1404	4.2076	3.4486	4.2199
C3	1.3828	2.5074		3.1485	1.4507	3.1590	2.5226	2.0873	3.4250	1.0815	4.2076	2.1404	4.2199	3.4486
C4	2.5363	1.4507	3.1485		3.1142	1.3400	2.5072	3.4578	2.1554	4.2146	1.0847	4.1803	2.0640	3.4068
C5	2.5363	3.1485	1.4507	3.1142		2.5072	1.3400	3.4578	4.2146	2.1554	4.1803	1.0847	3.4068	2.0640
C6	3.1333	2.5226	3.1590	1.3400	2.5072		1.4420	4.1970	3.4241	4.2188	2.0637	3.4360	1.0838	2.1392
C7	3.1333	3.1590	2.5226	2.5072	1.3400	1.4420		4.1970	4.2188	3.4241	3.4360	2.0637	2.1392	1.0838
H8	1.0854	2.0873	2.0873	3.4578	3.4578	4.1970	4.1970		2.3326	2.3326	4.2265	4.2265	5.2508	5.2508
H9	2.1076	1.0815	3.4250	2.1554	4.2146	3.4241	4.2188	2.3326		4.2119	2.3717	5.2600	4.2166	5.2645
H10	2.1076	3.4250	1.0815	4.2146	2.1554	4.2188	3.4241	2.3326	4.2119		5.2600	2.3717	5.2645	4.2166
H11	3.4405	2.1404	4.2076	1.0847	4.1803	2.0637	3.4360	4.2265	2.3717	5.2600		5.2335	2.3015	4.2003
H12	3.4405	4.2076	2.1404	4.1803	1.0847	3.4360	2.0637	4.2265	5.2600	2.3717	5.2335		4.2003	2.3015
H13	4.2002	3.4486	4.2199	2.0640	3.4068	1.0838	2.1392	5.2508	4.2166	5.2645	2.3015	4.2003		2.3589
H14	4.2002	4.2199	3.4486	3.4068	2.0640	2.1392	1.0838	5.2508	5.2645	4.2166	4.2003	2.3015	2.3589

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

using model chemistry: CCD/6-31G**

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: CCD/6-31G**

States and conformations

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