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	hartrees
Energy at 0K	-270.198518
Energy at 298.15K
HF Energy	-269.155650
Nuclear repulsion energy	259.968647

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3251	3084	10.26
2	A₁	3226	3060	19.25
3	A₁	3199	3034	1.92
4	A₁	3194	3030	7.97
5	A₁	1807	1715	70.13
6	A₁	1585	1503	16.03
7	A₁	1494	1417	6.45
8	A₁	1306	1239	3.47
9	A₁	1211	1149	3.27
10	A₁	1050	996	7.04
11	A₁	930	882	1.26
12	A₁	849	805	0.77
13	A₁	455	432	0.42
14	A₂	1062	1008	0.00
15	A₂	923	875	0.00
16	A₂	735	697	0.00
17	A₂	599	568	0.00
18	A₂	120	114	0.00
19	B₁	1096	1040	0.52
20	B₁	1033	980	1.60
21	B₁	794	754	13.01
22	B₁	669	634	70.70
23	B₁	455	432	50.19
24	B₁	307	291	1.45
25	B₂	3244	3078	18.34
26	B₂	3213	3048	34.65
27	B₂	3189	3025	0.91
28	B₂	1854	1759	31.63
29	B₂	1495	1418	11.04
30	B₂	1422	1349	0.02
31	B₂	1313	1246	0.19
32	B₂	1297	1230	0.83
33	B₂	983	933	4.14
34	B₂	902	855	3.05
35	B₂	420	398	0.63
36	B₂	3022i	2867i	568.87

Atom	y (Å)	z (Å)
C1	0.000	1.601
C2	1.251	1.027
C3	-1.251	1.027
C4	1.547	-0.390
C5	-1.547	-0.390
C6	0.708	-1.436
C7	-0.708	-1.436
H8	0.000	2.690
H9	2.104	1.695
H10	-2.104	1.695
H11	2.609	-0.630
H12	-2.609	-0.630
H13	1.175	-2.418
H14	-1.175	-2.418

	C1	C2	C3	C4	C5	C6	C7	H8	H9	H10	H11	H12	H13	H14
C1		1.3759	1.3759	2.5217	2.5217	3.1184	3.1184	1.0892	2.1061	2.1061	3.4325	3.4325	4.1869	4.1869
C2	1.3759		2.5012	1.4482	3.1365	2.5224	3.1469	2.0807	1.0838	3.4205	2.1425	4.2001	3.4456	4.2133
C3	1.3759	2.5012		3.1365	1.4482	3.1469	2.5224	2.0807	3.4205	1.0838	4.2001	2.1425	4.2133	3.4456
C4	2.5217	1.4482	3.1365		3.0948	1.3412	2.4858	3.4472	2.1584	4.2050	1.0881	4.1631	2.0611	3.3947
C5	2.5217	3.1365	1.4482	3.0948		2.4858	1.3412	3.4472	4.2050	2.1584	4.1631	1.0881	3.3947	2.0611
C6	3.1184	2.5224	3.1469	1.3412	2.4858		1.4155	4.1864	3.4285	4.2084	2.0651	3.4132	1.0872	2.1236
C7	3.1184	3.1469	2.5224	2.4858	1.3412	1.4155		4.1864	4.2084	3.4285	3.4132	2.0651	2.1236	1.0872
H8	1.0892	2.0807	2.0807	3.4472	3.4472	4.1864	4.1864		2.3274	2.3274	4.2222	4.2222	5.2412	5.2412
H9	2.1061	1.0838	3.4205	2.1584	4.2050	3.4285	4.2084	2.3274		4.2081	2.3791	5.2551	4.2162	5.2602
H10	2.1061	3.4205	1.0838	4.2050	2.1584	4.2084	3.4285	2.3274	4.2081		5.2551	2.3791	5.2602	4.2162
H11	3.4325	2.1425	4.2001	1.0881	4.1631	2.0651	3.4132	4.2222	2.3791	5.2551		5.2177	2.2915	4.1854
H12	3.4325	4.2001	2.1425	4.1631	1.0881	3.4132	2.0651	4.2222	5.2551	2.3791	5.2177		4.1854	2.2915
H13	4.1869	3.4456	4.2133	2.0611	3.3947	1.0872	2.1236	5.2412	4.2162	5.2602	2.2915	4.1854		2.3510
H14	4.1869	4.2133	3.4456	3.3947	2.0611	2.1236	1.0872	5.2412	5.2602	4.2162	4.1854	2.2915	2.3510

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

using model chemistry: MP2=FULL/6-311G**

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/6-311G**

States and conformations

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