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	hartrees
Energy at 0K	-266.155119
Energy at 298.15K
HF Energy	-265.829076
Nuclear repulsion energy	256.073002

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3537	3144	0.39
2	A₁	3523	3131	0.00
3	A₁	3503	3114	2.01
4	A₁	3499	3111	10.85
5	A₁	1945	1729	1.17
6	A₁	1636	1454	1.21
7	A₁	1577	1402	1.77
8	A₁	1401	1245	0.81
9	A₁	1240	1102	0.79
10	A₁	986	876	3.15
11	A₁	935	831	0.97
12	A₁	864	768	3.22
13	A₁	476	423	0.64
14	A₂	1253	1114	0.00
15	A₂	1011	899	0.00
16	A₂	817	726	0.00
17	A₂	674	599	0.00
18	A₂	179	159	0.00
19	B₁	1254	1115	0.08
20	B₁	1093	971	0.06
21	B₁	890	791	3.24
22	B₁	687	611	20.13
23	B₁	546	485	12.65
24	B₁	326	290	0.18
25	B₂	3529	3137	0.99
26	B₂	3514	3124	4.11
27	B₂	3494	3106	13.79
28	B₂	1702	1513	3.58
29	B₂	1607	1428	1.07
30	B₂	1542	1371	0.27
31	B₂	1406	1250	0.64
32	B₂	1325	1178	1.24
33	B₂	1014	901	0.49
34	B₂	985	875	6.05
35	B₂	446	396	0.36
36	B₂	1065i	947i	9.50

Atom	y (Å)	z (Å)
C1	0.000	1.639
C2	1.267	1.039
C3	-1.267	1.039
C4	1.572	-0.411
C5	-1.572	-0.411
C6	0.739	-1.445
C7	-0.739	-1.445
H8	0.000	2.742
H9	2.140	1.706
H10	-2.140	1.706
H11	2.652	-0.637
H12	-2.652	-0.637
H13	1.189	-2.450
H14	-1.189	-2.450

	C1	C2	C3	C4	C5	C6	C7	H8	H9	H10	H11	H12	H13	H14
C1		1.4021	1.4021	2.5840	2.5840	3.1720	3.1720	1.1028	2.1408	2.1408	3.4946	3.4946	4.2585	4.2585
C2	1.4021		2.5341	1.4819	3.1882	2.5398	3.1932	2.1228	1.0986	3.4715	2.1737	4.2620	3.4898	4.2665
C3	1.4021	2.5341		3.1882	1.4819	3.1932	2.5398	2.1228	3.4715	1.0986	4.2620	2.1737	4.2665	3.4898
C4	2.5840	1.4819	3.1882		3.1445	1.3281	2.5321	3.5236	2.1922	4.2735	1.1028	4.2300	2.0745	3.4321
C5	2.5840	3.1882	1.4819	3.1445		2.5321	1.3281	3.5236	4.2735	2.1922	4.2300	1.1028	3.4321	2.0745
C6	3.1720	2.5398	3.1932	1.3281	2.5321		1.4781	4.2523	3.4489	4.2685	2.0766	3.4859	1.1006	2.1737
C7	3.1720	3.1932	2.5398	2.5321	1.3281	1.4781		4.2523	4.2685	3.4489	3.4859	2.0766	2.1737	1.1006
H8	1.1028	2.1228	2.1228	3.5236	3.5236	4.2523	4.2523		2.3773	2.3773	4.2952	4.2952	5.3264	5.3264
H9	2.1408	1.0986	3.4715	2.1922	4.2735	3.4489	4.2685	2.3773		4.2794	2.3983	5.3336	4.2637	5.3247
H10	2.1408	3.4715	1.0986	4.2735	2.1922	4.2685	3.4489	2.3773	4.2794		5.3336	2.3983	5.3247	4.2637
H11	3.4946	2.1737	4.2620	1.1028	4.2300	2.0766	3.4859	4.2952	2.3983	5.3336		5.3035	2.3299	4.2469
H12	3.4946	4.2620	2.1737	4.2300	1.1028	3.4859	2.0766	4.2952	5.3336	2.3983	5.3035		4.2469	2.3299
H13	4.2585	3.4898	4.2665	2.0745	3.4321	1.1006	2.1737	5.3264	4.2637	5.3247	2.3299	4.2469		2.3773
H14	4.2585	4.2665	3.4898	3.4321	2.0745	2.1737	1.1006	5.3264	5.3247	4.2637	4.2469	2.3299	2.3773

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

using model chemistry: MP2=FULL/STO-3G

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/STO-3G

States and conformations

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