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	hartrees
Energy at 0K	-42.796504
Energy at 298.15K
HF Energy	-42.316435
Nuclear repulsion energy	128.204667

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3210	3102	7.38
2	A₁	3192	3084	112.62
3	A₁	3154	3047	1.04
4	A₁	3140	3034	1.95
5	A₁	1805	1744	46.59
6	A₁	1539	1487	10.86
7	A₁	1481	1431	8.27
8	A₁	1317	1273	3.19
9	A₁	1193	1153	0.05
10	A₁	977	944	4.63
11	A₁	910	879	2.04
12	A₁	831	803	1.20
13	A₁	446	431	0.48
14	A₂	1040	1005	0.00
15	A₂	920	889	0.00
16	A₂	705	681	0.00
17	A₂	620	599	0.00
18	A₂	148	143	0.00
19	B₁	1071	1035	1.55
20	B₁	976	943	1.14
21	B₁	792	766	45.47
22	B₁	652	630	109.61
23	B₁	487	471	64.18
24	B₁	311	300	2.23
25	B₂	3194	3086	114.16
26	B₂	3169	3062	25.59
27	B₂	3132	3026	0.51
28	B₂	1668	1612	17.07
29	B₂	1493	1442	13.66
30	B₂	1436	1387	0.29
31	B₂	1319	1275	1.12
32	B₂	1285	1242	0.59
33	B₂	962	930	2.94
34	B₂	902	872	6.09
35	B₂	415	401	0.74
36	B₂	1984i	1917i	281.93

Atom	y (Å)	z (Å)
C1	0.000	1.657
C2	1.290	1.056
C3	-1.290	1.056
C4	1.596	-0.406
C5	-1.596	-0.406
C6	0.732	-1.477
C7	-0.732	-1.477
H8	0.000	2.761
H9	2.159	1.730
H10	-2.159	1.730
H11	2.674	-0.644
H12	-2.674	-0.644
H13	1.199	-2.475
H14	-1.199	-2.475

	C1	C2	C3	C4	C5	C6	C7	H8	H9	H10	H11	H12	H13	H14
C1		1.4232	1.4232	2.6084	2.6084	3.2187	3.2187	1.1036	2.1606	2.1606	3.5276	3.5276	4.3032	4.3032
C2	1.4232		2.5794	1.4931	3.2348	2.5934	3.2406	2.1381	1.1004	3.5144	2.1918	4.3123	3.5322	4.3200
C3	1.4232	2.5794		3.2348	1.4931	3.2406	2.5934	2.1381	3.5144	1.1004	4.3123	2.1918	4.3200	3.5322
C4	2.6084	1.4931	3.2348		3.1925	1.3766	2.5629	3.5462	2.2086	4.3204	1.1034	4.2765	2.1075	3.4781
C5	2.6084	3.2348	1.4931	3.1925		2.5629	1.3766	3.5462	4.3204	2.2086	4.2765	1.1034	3.4781	2.1075
C6	3.2187	2.5934	3.2406	1.3766	2.5629		1.4639	4.3008	3.5103	4.3179	2.1128	3.5059	1.1022	2.1738
C7	3.2187	3.2406	2.5934	2.5629	1.3766	1.4639		4.3008	4.3179	3.5103	3.5059	2.1128	2.1738	1.1022
H8	1.1036	2.1381	2.1381	3.5462	3.5462	4.3008	4.3008		2.3929	2.3929	4.3292	4.3292	5.3719	5.3719
H9	2.1606	1.1004	3.5144	2.2086	4.3204	3.5103	4.3179	2.3929		4.3188	2.4289	5.3845	4.3136	5.3818
H10	2.1606	3.5144	1.1004	4.3204	2.2086	4.3179	3.5103	2.3929	4.3188		5.3845	2.4289	5.3818	4.3136
H11	3.5276	2.1918	4.3123	1.1034	4.2765	2.1128	3.5059	4.3292	2.4289	5.3845		5.3471	2.3513	4.2838
H12	3.5276	4.3123	2.1918	4.2765	1.1034	3.5059	2.1128	4.3292	5.3845	2.4289	5.3471		4.2838	2.3513
H13	4.3032	3.5322	4.3200	2.1075	3.4781	1.1022	2.1738	5.3719	4.3136	5.3818	2.3513	4.2838		2.3981
H14	4.3032	4.3200	3.5322	3.4781	2.1075	2.1738	1.1022	5.3719	5.3818	4.3136	4.2838	2.3513	2.3981

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

using model chemistry: MP2/CEP-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/CEP-31G

States and conformations

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