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	hartrees
Energy at 0K	-269.812296
Energy at 298.15K
HF Energy	-269.100011
Nuclear repulsion energy	259.404414

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3325	3072	3.56
2	A₁	3313	3060	54.00
3	A₁	3286	3035	3.28
4	A₁	3280	3030	3.27
5	A₁	1810	1672	6.85
6	A₁	1626	1502	7.06
7	A₁	1561	1442	5.68
8	A₁	1368	1264	1.65
9	A₁	1242	1147	0.66
10	A₁	1007	930	1.46
11	A₁	962	888	2.31
12	A₁	875	808	0.32
13	A₁	466	431	0.45
14	A₂	1071	989	0.00
15	A₂	908	838	0.00
16	A₂	788	728	0.00
17	A₂	601	555	0.00
18	A₂	148	137	0.00
19	B₁	1094	1011	0.10
20	B₁	1027	948	0.08
21	B₁	821	759	6.77
22	B₁	680	628	77.94
23	B₁	528	488	29.78
24	B₁	309	286	0.04
25	B₂	3316	3063	47.80
26	B₂	3298	3046	21.93
27	B₂	3278	3028	0.85
28	B₂	1743	1610	7.68
29	B₂	1571	1452	6.79
30	B₂	1496	1382	0.04
31	B₂	1385	1279	0.77
32	B₂	1321	1220	0.62
33	B₂	1016	939	0.64
34	B₂	947	875	3.50
35	B₂	436	403	0.60
36	B₂	1056i	976i	26.84

Atom	y (Å)	z (Å)
C1	0.000	1.608
C2	1.253	1.020
C3	-1.253	1.020
C4	1.559	-0.387
C5	-1.559	-0.387
C6	0.726	-1.436
C7	-0.726	-1.436
H8	0.000	2.690
H9	2.103	1.686
H10	-2.103	1.686
H11	2.616	-0.617
H12	-2.616	-0.617
H13	1.182	-2.417
H14	-1.182	-2.417

	C1	C2	C3	C4	C5	C6	C7	H8	H9	H10	H11	H12	H13	H14
C1		1.3841	1.3841	2.5315	2.5315	3.1292	3.1292	1.0826	2.1043	2.1043	3.4339	3.4339	4.1942	4.1942
C2	1.3841		2.5064	1.4399	3.1443	2.5120	3.1546	2.0881	1.0796	3.4215	2.1298	4.2013	3.4373	4.2118
C3	1.3841	2.5064		3.1443	1.4399	3.1546	2.5120	2.0881	3.4215	1.0796	4.2013	2.1298	4.2118	3.4373
C4	2.5315	1.4399	3.1443		3.1174	1.3391	2.5144	3.4495	2.1434	4.2077	1.0822	4.1813	2.0642	3.4102
C5	2.5315	3.1443	1.4399	3.1174		2.5144	1.3391	3.4495	4.2077	2.1434	4.1813	1.0822	3.4102	2.0642
C6	3.1292	2.5120	3.1546	1.3391	2.5144		1.4529	4.1898	3.4122	4.2134	2.0599	3.4417	1.0811	2.1454
C7	3.1292	3.1546	2.5120	2.5144	1.3391	1.4529		4.1898	4.2134	3.4122	3.4417	2.0599	2.1454	1.0811
H8	1.0826	2.0881	2.0881	3.4495	3.4495	4.1898	4.1898		2.3303	2.3303	4.2165	4.2165	5.2417	5.2417
H9	2.1043	1.0796	3.4215	2.1434	4.2077	3.4122	4.2134	2.3303		4.2057	2.3591	5.2509	4.2048	5.2556
H10	2.1043	3.4215	1.0796	4.2077	2.1434	4.2134	3.4122	2.3303	4.2057		5.2509	2.3591	5.2556	4.2048
H11	3.4339	2.1298	4.2013	1.0822	4.1813	2.0599	3.4417	4.2165	2.3591	5.2509		5.2326	2.3018	4.2031
H12	3.4339	4.2013	2.1298	4.1813	1.0822	3.4417	2.0599	4.2165	5.2509	2.3591	5.2326		4.2031	2.3018
H13	4.1942	3.4373	4.2118	2.0642	3.4102	1.0811	2.1454	5.2417	4.2048	5.2556	2.3018	4.2031		2.3636
H14	4.1942	4.2118	3.4373	3.4102	2.0642	2.1454	1.0811	5.2417	5.2556	4.2048	4.2031	2.3018	2.3636

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

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

States and conformations

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