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	hartrees
Energy at 0K	-269.557797
Energy at 298.15K
HF Energy	-269.003996
Nuclear repulsion energy	257.480701

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3217	3078	13.26
2	A₁	3194	3056	50.47
3	A₁	3164	3027	2.87
4	A₁	3160	3023	6.84
5	A₁	1817	1738	40.86
6	A₁	1579	1510	15.03
7	A₁	1526	1460	3.72
8	A₁	1362	1304	3.13
9	A₁	1225	1172	1.28
10	A₁	1025	981	4.58
11	A₁	952	911	1.84
12	A₁	858	821	0.55
13	A₁	470	450	0.41
14	A₂	1077	1030	0.00
15	A₂	925	885	0.00
16	A₂	718	687	0.00
17	A₂	628	601	0.00
18	A₂	128	122	0.00
19	B₁	1096	1049	0.94
20	B₁	1023	979	0.69
21	B₁	800	766	18.44
22	B₁	651	622	65.87
23	B₁	484	463	54.55
24	B₁	304	291	1.43
25	B₂	3207	3069	43.41
26	B₂	3178	3041	42.26
27	B₂	3154	3017	0.18
28	B₂	1737	1662	24.31
29	B₂	1536	1470	8.20
30	B₂	1481	1417	0.20
31	B₂	1362	1303	0.85
32	B₂	1329	1272	0.95
33	B₂	980	937	2.48
34	B₂	951	910	3.79
35	B₂	436	417	0.60
36	B₂	2385i	2282i	292.70

Atom	y (Å)	z (Å)
C1	0.000	1.623
C2	1.263	1.036
C3	-1.263	1.036
C4	1.564	-0.398
C5	-1.564	-0.398
C6	0.718	-1.448
C7	-0.718	-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		1.3921	1.3921	2.5558	2.5558	3.1534	3.1534	1.0938	2.1258	2.1258	3.4658	3.4658	4.2284	4.2284
C2	1.3921		2.5253	1.4663	3.1702	2.5435	3.1770	2.1016	1.0896	3.4520	2.1585	4.2371	3.4756	4.2465
C3	1.3921	2.5253		3.1702	1.4663	3.1770	2.5435	2.1016	3.4520	1.0896	4.2371	2.1585	4.2465	3.4756
C4	2.5558	1.4663	3.1702		3.1284	1.3484	2.5116	3.4856	2.1752	4.2453	1.0931	4.2027	2.0758	3.4182
C5	2.5558	3.1702	1.4663	3.1284		2.5116	1.3484	3.4856	4.2453	2.1752	4.2027	1.0931	3.4182	2.0758
C6	3.1534	2.5435	3.1770	1.3484	2.5116		1.4351	4.2258	3.4510	4.2434	2.0810	3.4475	1.0923	2.1393
C7	3.1534	3.1770	2.5435	2.5116	1.3484	1.4351		4.2258	4.2434	3.4510	3.4475	2.0810	2.1393	1.0923
H8	1.0938	2.1016	2.1016	3.4856	3.4856	4.2258	4.2258		2.3535	2.3535	4.2592	4.2592	5.2876	5.2876
H9	2.1258	1.0896	3.4520	2.1752	4.2453	3.4510	4.2434	2.3535		4.2485	2.3900	5.2987	4.2480	5.2973
H10	2.1258	3.4520	1.0896	4.2453	2.1752	4.2434	3.4510	2.3535	4.2485		5.2987	2.3900	5.2973	4.2480
H11	3.4658	2.1585	4.2371	1.0931	4.2027	2.0810	3.4475	4.2592	2.3900	5.2987		5.2640	2.3181	4.2170
H12	3.4658	4.2371	2.1585	4.2027	1.0931	3.4475	2.0810	4.2592	5.2987	2.3900	5.2640		4.2170	2.3181
H13	4.2284	3.4756	4.2465	2.0758	3.4182	1.0923	2.1393	5.2876	4.2480	5.2973	2.3181	4.2170		2.3575
H14	4.2284	4.2465	3.4756	3.4182	2.0758	2.1393	1.0923	5.2876	5.2973	4.2480	4.2170	2.3181	2.3575

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

using model chemistry: MP2/6-31G

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: MP2/6-31G

States and conformations

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