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	hartrees
Energy at 0K	-268.213433
Energy at 298.15K
HF Energy	-267.595591
Nuclear repulsion energy	257.394329

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3172	3084	8.13
2	A₁	3152	3064	35.90
3	A₁	3121	3035	1.37
4	A₁	3116	3030	6.08
5	A₁	1752	1704	11.74
6	A₁	1556	1513	12.61
7	A₁	1524	1482	3.16
8	A₁	1371	1333	2.22
9	A₁	1199	1166	0.98
10	A₁	979	952	4.73
11	A₁	943	917	0.43
12	A₁	831	808	0.18
13	A₁	468	455	0.33
14	A₂	1079	1049	0.00
15	A₂	902	877	0.00
16	A₂	757	736	0.00
17	A₂	614	597	0.00
18	A₂	136	132	0.00
19	B₁	1088	1058	0.48
20	B₁	1025	997	0.16
21	B₁	806	783	10.72
22	B₁	650	632	85.05
23	B₁	512	498	42.93
24	B₁	300	292	0.38
25	B₂	3162	3075	28.64
26	B₂	3136	3049	28.28
27	B₂	3114	3027	0.04
28	B₂	1708	1661	12.97
29	B₂	1535	1493	6.90
30	B₂	1483	1442	0.13
31	B₂	1371	1333	0.71
32	B₂	1324	1287	0.23
33	B₂	954	928	3.96
34	B₂	942	916	0.10
35	B₂	436	424	0.49
36	B₂	1685i	1638i	58.32

Atom	y (Å)	z (Å)
C1	0.000	1.623
C2	1.260	1.035
C3	-1.260	1.035
C4	1.567	-0.399
C5	-1.567	-0.399
C6	0.727	-1.447
C7	-0.727	-1.447
H8	0.000	2.717
H9	2.122	1.702
H10	-2.122	1.702
H11	2.636	-0.625
H12	-2.636	-0.625
H13	1.181	-2.440
H14	-1.181	-2.440

	C1	C2	C3	C4	C5	C6	C7	H8	H9	H10	H11	H12	H13	H14
C1		1.3902	1.3902	2.5580	2.5580	3.1549	3.1549	1.0939	2.1234	2.1234	3.4647	3.4647	4.2315	4.2315
C2	1.3902		2.5194	1.4666	3.1695	2.5388	3.1791	2.1013	1.0898	3.4467	2.1568	4.2348	3.4763	4.2467
C3	1.3902	2.5194		3.1695	1.4666	3.1791	2.5388	2.1013	3.4467	1.0898	4.2348	2.1568	4.2467	3.4763
C4	2.5580	1.4666	3.1695		3.1335	1.3433	2.5214	3.4876	2.1727	4.2449	1.0930	4.2088	2.0774	3.4229
C5	2.5580	3.1695	1.4666	3.1335		2.5214	1.3433	3.4876	4.2449	2.1727	4.2088	1.0930	3.4229	2.0774
C6	3.1549	2.5388	3.1791	1.3433	2.5214		1.4530	4.2269	3.4441	4.2460	2.0788	3.4614	1.0922	2.1505
C7	3.1549	3.1791	2.5388	2.5214	1.3433	1.4530		4.2269	4.2460	3.4441	3.4614	2.0788	2.1505	1.0922
H8	1.0939	2.1013	2.1013	3.4876	3.4876	4.2269	4.2269		2.3524	2.3524	4.2567	4.2567	5.2907	5.2907
H9	2.1234	1.0898	3.4467	2.1727	4.2449	3.4441	4.2460	2.3524		4.2440	2.3831	5.2966	4.2474	5.2976
H10	2.1234	3.4467	1.0898	4.2449	2.1727	4.2460	3.4441	2.3524	4.2440		5.2966	2.3831	5.2976	4.2474
H11	3.4647	2.1568	4.2348	1.0930	4.2088	2.0788	3.4614	4.2567	2.3831	5.2966		5.2720	2.3261	4.2264
H12	3.4647	4.2348	2.1568	4.2088	1.0930	3.4614	2.0788	4.2567	5.2966	2.3831	5.2720		4.2264	2.3261
H13	4.2315	3.4763	4.2467	2.0774	3.4229	1.0922	2.1505	5.2907	4.2474	5.2976	2.3261	4.2264		2.3618
H14	4.2315	4.2467	3.4763	3.4229	2.0774	2.1505	1.0922	5.2907	5.2976	4.2474	4.2264	2.3261	2.3618

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

using model chemistry: CCD/3-21G

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: CCD/3-21G

States and conformations

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