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	hartrees
Energy at 0K	-269.999408
Energy at 298.15K
HF Energy	-269.117695
Nuclear repulsion energy	259.844857

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3289	3093	10.33
2	A₁	3265	3071	19.11
3	A₁	3239	3046	2.49
4	A₁	3235	3043	7.06
5	A₁	1808	1700	94.22
6	A₁	1606	1511	13.83
7	A₁	1520	1429	4.77
8	A₁	1329	1250	4.31
9	A₁	1229	1156	3.44
10	A₁	1062	999	10.16
11	A₁	937	882	1.31
12	A₁	858	807	0.61
13	A₁	459	431	0.36
14	A₂	1051	989	0.00
15	A₂	921	867	0.00
16	A₂	733	689	0.00
17	A₂	486	457	0.00
18	A₂	77	72	0.00
19	B₁	1096	1031	0.67
20	B₁	1026	965	2.14
21	B₁	785	738	16.87
22	B₁	657	618	113.77
23	B₁	335	315	30.31
24	B₁	292	274	5.89
25	B₂	3282	3087	18.95
26	B₂	3252	3059	35.67
27	B₂	3229	3037	1.28
28	B₂	1861	1750	27.15
29	B₂	1521	1431	7.76
30	B₂	1449	1363	0.03
31	B₂	1337	1258	0.38
32	B₂	1319	1241	0.81
33	B₂	995	936	5.50
34	B₂	913	859	3.29
35	B₂	424	399	0.65
36	B₂	3034i	2854i	988.73

Atom	y (Å)	z (Å)
C1	0.000	1.602
C2	1.252	1.027
C3	-1.252	1.027
C4	1.549	-0.389
C5	-1.549	-0.389
C6	0.708	-1.438
C7	-0.708	-1.438
H8	0.000	2.688
H9	2.103	1.694
H10	-2.103	1.694
H11	2.608	-0.628
H12	-2.608	-0.628
H13	1.174	-2.417
H14	-1.174	-2.417

	C1	C2	C3	C4	C5	C6	C7	H8	H9	H10	H11	H12	H13	H14
C1		1.3779	1.3779	2.5234	2.5234	3.1218	3.1218	1.0858	2.1053	2.1053	3.4313	3.4313	4.1873	4.1873
C2	1.3779		2.5042	1.4474	3.1393	2.5246	3.1495	2.0800	1.0810	3.4209	2.1393	4.1998	3.4450	4.2129
C3	1.3779	2.5042		3.1393	1.4474	3.1495	2.5246	2.0800	3.4209	1.0810	4.1998	2.1393	4.2129	3.4450
C4	2.5234	1.4474	3.1393		3.0988	1.3445	2.4891	3.4455	2.1554	4.2049	1.0850	4.1641	2.0619	3.3954
C5	2.5234	3.1393	1.4474	3.0988		2.4891	1.3445	3.4455	4.2049	2.1554	4.1641	1.0850	3.3954	2.0619
C6	3.1218	2.5246	3.1495	1.3445	2.4891		1.4159	4.1865	3.4285	4.2084	2.0655	3.4134	1.0842	2.1215
C7	3.1218	3.1495	2.5246	2.4891	1.3445	1.4159		4.1865	4.2084	3.4285	3.4134	2.0655	2.1215	1.0842
H8	1.0858	2.0800	2.0800	3.4455	3.4455	4.1865	4.1865		2.3265	2.3265	4.2185	4.2185	5.2383	5.2383
H9	2.1053	1.0810	3.4209	2.1554	4.2049	3.4285	4.2084	2.3265		4.2066	2.3756	5.2520	4.2142	5.2572
H10	2.1053	3.4209	1.0810	4.2049	2.1554	4.2084	3.4285	2.3265	4.2066		5.2520	2.3756	5.2572	4.2142
H11	3.4313	2.1393	4.1998	1.0850	4.1641	2.0655	3.4134	4.2185	2.3756	5.2520		5.2157	2.2927	4.1839
H12	3.4313	4.1998	2.1393	4.1641	1.0850	3.4134	2.0655	4.2185	5.2520	2.3756	5.2157		4.1839	2.2927
H13	4.1873	3.4450	4.2129	2.0619	3.3954	1.0842	2.1215	5.2383	4.2142	5.2572	2.2927	4.1839		2.3484
H14	4.1873	4.2129	3.4450	3.3954	2.0619	2.1215	1.0842	5.2383	5.2572	4.2142	4.1839	2.2927	2.3484

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

using model chemistry: MP2/6-31+G**

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: MP2/6-31+G**

States and conformations

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