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	hartrees
Energy at 0K	-43.279088
Energy at 298.15K
HF Energy	-42.443766
Nuclear repulsion energy	130.965613

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3238	3085	13.26
2	A₁	3218	3066	30.13
3	A₁	3194	3044	4.07
4	A₁	3190	3040	5.87
5	A₁	1790	1705	75.13
6	A₁	1581	1506	14.92
7	A₁	1501	1430	7.65
8	A₁	1315	1253	4.80
9	A₁	1210	1153	2.26
10	A₁	1039	990	8.38
11	A₁	926	882	1.64
12	A₁	842	802	0.57
13	A₁	453	432	0.41
14	A₂	965	920	0.00
15	A₂	906	863	0.00
16	A₂	688	656	0.00
17	A₂	501	478	0.00
18	A₂	116	111	0.00
19	B₁	1051	1002	0.94
20	B₁	978	932	1.77
21	B₁	743	708	57.55
22	B₁	665	634	59.15
23	B₁	348	332	35.71
24	B₁	288	274	16.30
25	B₂	3231	3079	30.24
26	B₂	3206	3055	39.65
27	B₂	3183	3033	0.95
28	B₂	1818	1732	24.78
29	B₂	1506	1435	11.71
30	B₂	1432	1365	0.03
31	B₂	1324	1262	0.51
32	B₂	1304	1243	0.63
33	B₂	975	929	4.82
34	B₂	906	864	3.38
35	B₂	420	400	0.66
36	B₂	2869i	2734i	562.45

Atom	y (Å)	z (Å)
C1	0.000	1.614
C2	1.259	1.034
C3	-1.259	1.034
C4	1.559	-0.394
C5	-1.559	-0.394
C6	0.714	-1.446
C7	-0.714	-1.446
H8	0.000	2.704
H9	2.115	1.703
H10	-2.115	1.703
H11	2.622	-0.633
H12	-2.622	-0.633
H13	1.181	-2.430
H14	-1.181	-2.430

	C1	C2	C3	C4	C5	C6	C7	H8	H9	H10	H11	H12	H13	H14
C1		1.3859	1.3859	2.5416	2.5416	3.1417	3.1417	1.0908	2.1169	2.1169	3.4528	3.4528	4.2124	4.2124
C2	1.3859		2.5181	1.4595	3.1591	2.5396	3.1692	2.0914	1.0864	3.4398	2.1535	4.2242	3.4650	4.2374
C3	1.3859	2.5181		3.1591	1.4595	3.1692	2.5396	2.0914	3.4398	1.0864	4.2242	2.1535	4.2374	3.4650
C4	2.5416	1.4595	3.1591		3.1172	1.3492	2.5039	3.4684	2.1700	4.2302	1.0900	4.1876	2.0703	3.4134
C5	2.5416	3.1591	1.4595	3.1172		2.5039	1.3492	3.4684	4.2302	2.1700	4.1876	1.0900	3.4134	2.0703
C6	3.1417	2.5396	3.1692	1.3492	2.5039		1.4273	4.2112	3.4470	4.2332	2.0745	3.4335	1.0893	2.1352
C7	3.1417	3.1692	2.5396	2.5039	1.3492	1.4273		4.2112	4.2332	3.4470	3.4335	2.0745	2.1352	1.0893
H8	1.0908	2.0914	2.0914	3.4684	3.4684	4.2112	4.2112		2.3399	2.3399	4.2441	4.2441	5.2683	5.2683
H9	2.1169	1.0864	3.4398	2.1700	4.2302	3.4470	4.2332	2.3399		4.2301	2.3906	5.2819	4.2373	5.2867
H10	2.1169	3.4398	1.0864	4.2302	2.1700	4.2332	3.4470	2.3399	4.2301		5.2819	2.3906	5.2867	4.2373
H11	3.4528	2.1535	4.2242	1.0900	4.1876	2.0745	3.4335	4.2441	2.3906	5.2819		5.2444	2.3032	4.2067
H12	3.4528	4.2242	2.1535	4.1876	1.0900	3.4335	2.0745	4.2441	5.2819	2.3906	5.2444		4.2067	2.3032
H13	4.2124	3.4650	4.2374	2.0703	3.4134	1.0893	2.1352	5.2683	4.2373	5.2867	2.3032	4.2067		2.3628
H14	4.2124	4.2374	3.4650	3.4134	2.0703	2.1352	1.0893	5.2683	5.2867	4.2373	4.2067	2.3032	2.3628

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

using model chemistry: MP2/CEP-121G*

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-121G*

States and conformations

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