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	hartrees
Energy at 0K	-269.567329
Energy at 298.15K
HF Energy	-269.003999
Nuclear repulsion energy	257.525134

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3217	3057	13.27
2	A₁	3195	3035	50.13
3	A₁	3164	3007	2.90
4	A₁	3160	3002	6.81
5	A₁	1817	1726	41.05
6	A₁	1579	1500	15.13
7	A₁	1527	1451	3.73
8	A₁	1363	1295	3.14
9	A₁	1225	1164	1.31
10	A₁	1026	975	4.61
11	A₁	952	905	1.84
12	A₁	858	815	0.54
13	A₁	470	447	0.41
14	A₂	1079	1026	0.00
15	A₂	927	881	0.00
16	A₂	721	685	0.00
17	A₂	630	598	0.00
18	A₂	128	122	0.00
19	B₁	1099	1044	0.94
20	B₁	1026	975	0.71
21	B₁	802	762	18.03
22	B₁	652	620	66.65
23	B₁	486	462	54.28
24	B₁	305	290	1.39
25	B₂	3208	3048	43.13
26	B₂	3179	3020	42.26
27	B₂	3154	2997	0.18
28	B₂	1738	1651	24.48
29	B₂	1537	1460	8.23
30	B₂	1481	1407	0.19
31	B₂	1362	1294	0.84
32	B₂	1330	1263	0.95
33	B₂	980	931	2.49
34	B₂	951	904	3.77
35	B₂	436	414	0.59
36	B₂	2394i	2274i	296.25

Atom	y (Å)	z (Å)
C1	0.000	1.622
C2	1.262	1.036
C3	-1.262	1.036
C4	1.564	-0.398
C5	-1.564	-0.398
C6	0.717	-1.448
C7	-0.717	-1.448
H8	0.000	2.716
H9	2.124	1.703
H10	-2.124	1.703
H11	2.632	-0.632
H12	-2.632	-0.632
H13	1.179	-2.438
H14	-1.179	-2.438

	C1	C2	C3	C4	C5	C6	C7	H8	H9	H10	H11	H12	H13	H14
C1		1.3919	1.3919	2.5552	2.5552	3.1528	3.1528	1.0936	2.1255	2.1255	3.4652	3.4652	4.2277	4.2277
C2	1.3919		2.5249	1.4660	3.1696	2.5431	3.1764	2.1013	1.0894	3.4514	2.1582	4.2364	3.4750	4.2459
C3	1.3919	2.5249		3.1696	1.4660	3.1764	2.5431	2.1013	3.4514	1.0894	4.2364	2.1582	4.2459	3.4750
C4	2.5552	1.4660	3.1696		3.1279	1.3482	2.5111	3.4850	2.1749	4.2446	1.0929	4.2020	2.0755	3.4177
C5	2.5552	3.1696	1.4660	3.1279		2.5111	1.3482	3.4850	4.2446	2.1749	4.2020	1.0929	3.4177	2.0755
C6	3.1528	2.5431	3.1764	1.3482	2.5111		1.4348	4.2251	3.4505	4.2427	2.0807	3.4469	1.0922	2.1389
C7	3.1528	3.1764	2.5431	2.5111	1.3482	1.4348		4.2251	4.2427	3.4505	3.4469	2.0807	2.1389	1.0922
H8	1.0936	2.1013	2.1013	3.4850	3.4850	4.2251	4.2251		2.3531	2.3531	4.2585	4.2585	5.2868	5.2868
H9	2.1255	1.0894	3.4514	2.1749	4.2446	3.4505	4.2427	2.3531		4.2479	2.3898	5.2980	4.2475	5.2966
H10	2.1255	3.4514	1.0894	4.2446	2.1749	4.2427	3.4505	2.3531	4.2479		5.2980	2.3898	5.2966	4.2475
H11	3.4652	2.1582	4.2364	1.0929	4.2020	2.0807	3.4469	4.2585	2.3898	5.2980		5.2632	2.3177	4.2164
H12	3.4652	4.2364	2.1582	4.2020	1.0929	3.4469	2.0807	4.2585	5.2980	2.3898	5.2632		4.2164	2.3177
H13	4.2277	3.4750	4.2459	2.0755	3.4177	1.0922	2.1389	5.2868	4.2475	5.2966	2.3177	4.2164		2.3571
H14	4.2277	4.2459	3.4750	3.4177	2.0755	2.1389	1.0922	5.2868	5.2966	4.2475	4.2164	2.3177	2.3571

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

using model chemistry: MP2=FULL/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: MP2=FULL/6-31G

States and conformations

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