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	hartrees
Energy at 0K	-268.711294
Energy at 298.15K	-268.720923
Nuclear repulsion energy	286.322497

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3342	3113	5.90
2	A₁	3246	3024	7.91
3	A₁	3172	2955	28.41
4	A₁	1716	1599	0.11
5	A₁	1596	1487	0.54
6	A₁	1317	1227	3.99
7	A₁	1204	1121	0.13
8	A₁	984	917	5.86
9	A₁	914	852	21.82
10	A₁	830	773	10.42
11	A₁	798	743	47.27
12	A₁	456	425	6.70
13	A₂	3306	3080	0.00
14	A₂	1377	1283	0.00
15	A₂	1349	1257	0.00
16	A₂	1212	1129	0.00
17	A₂	1009	940	0.00
18	A₂	923	860	0.00
19	A₂	766	714	0.00
20	A₂	475	443	0.00
21	B₁	3337	3108	19.23
22	B₁	3237	3016	26.64
23	B₁	1681	1566	2.13
24	B₁	1308	1219	2.25
25	B₁	1164	1084	0.08
26	B₁	1089	1014	1.73
27	B₁	916	853	4.55
28	B₁	736	685	39.04
29	B₁	527	491	6.07
30	B₂	3308	3082	8.28
31	B₂	3241	3019	36.96
32	B₂	1418	1321	24.12
33	B₂	1366	1272	0.84
34	B₂	1240	1155	0.42
35	B₂	1029	959	2.34
36	B₂	999	931	1.17
37	B₂	923	860	0.03
38	B₂	825	768	6.97
39	B₂	578	539	1.39

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	1.372
C2	0.000	1.133	0.280
C3	0.000	-1.133	0.280
C4	1.244	0.666	-0.529
C5	1.244	-0.666	-0.529
C6	-1.244	0.666	-0.529
C7	-1.244	-0.666	-0.529
H8	-0.901	0.000	1.982
H9	0.901	0.000	1.982
H10	0.000	2.164	0.614
H11	0.000	-2.164	0.614
H12	1.934	1.331	-1.021
H13	1.934	-1.331	-1.021
H14	-1.934	1.331	-1.021
H15	-1.934	-1.331	-1.021

	C1	C2	C3	C4	C5	C6	C7	H8	H9	H10	H11	H12	H13	H14	H15
C1		1.5735	1.5735	2.3677	2.3677	2.3677	2.3677	1.0884	1.0884	2.2932	2.2932	3.3522	3.3522	3.3522	3.3522
C2	1.5735		2.2665	1.5563	2.3325	1.5563	2.3325	2.2346	2.2346	1.0837	3.3144	2.3394	3.3918	2.3394	3.3918
C3	1.5735	2.2665		2.3325	1.5563	2.3325	1.5563	2.2346	2.2346	3.3144	1.0837	3.3918	2.3394	3.3918	2.3394
C4	2.3677	1.5563	2.3325		1.3317	2.4886	2.8225	3.3696	2.6210	2.2585	3.2962	1.0768	2.1687	3.2841	3.7854
C5	2.3677	2.3325	1.5563	1.3317		2.8225	2.4886	3.3696	2.6210	3.2962	2.2585	2.1687	1.0768	3.7854	3.2841
C6	2.3677	1.5563	2.3325	2.4886	2.8225		1.3317	2.6210	3.3696	2.2585	3.2962	3.2841	3.7854	1.0768	2.1687
C7	2.3677	2.3325	1.5563	2.8225	2.4886	1.3317		2.6210	3.3696	3.2962	2.2585	3.7854	3.2841	2.1687	1.0768
H8	1.0884	2.2346	2.2346	3.3696	3.3696	2.6210	2.6210		1.8021	2.7145	2.7145	4.3393	4.3393	3.4437	3.4437
H9	1.0884	2.2346	2.2346	2.6210	2.6210	3.3696	3.3696	1.8021		2.7145	2.7145	3.4437	3.4437	4.3393	4.3393
H10	2.2932	1.0837	3.3144	2.2585	3.2962	2.2585	3.2962	2.7145	2.7145		4.3286	2.6663	4.3161	2.6663	4.3161
H11	2.2932	3.3144	1.0837	3.2962	2.2585	3.2962	2.2585	2.7145	2.7145	4.3286		4.3161	2.6663	4.3161	2.6663
H12	3.3522	2.3394	3.3918	1.0768	2.1687	3.2841	3.7854	4.3393	3.4437	2.6663	4.3161		2.6611	3.8679	4.6949
H13	3.3522	3.3918	2.3394	2.1687	1.0768	3.7854	3.2841	4.3393	3.4437	4.3161	2.6663	2.6611		4.6949	3.8679
H14	3.3522	2.3394	3.3918	3.2841	3.7854	1.0768	2.1687	3.4437	4.3393	2.6663	4.3161	3.8679	4.6949		2.6611
H15	3.3522	3.3918	2.3394	3.7854	3.2841	2.1687	1.0768	3.4437	4.3393	4.3161	2.6663	4.6949	3.8679	2.6611

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	98.313	C1	C2	C6	98.313
C1	C2	H10	118.133	C1	C3	C5	98.313
C1	C3	C7	98.313	C1	C3	H11	118.133
C2	C1	C3	92.142	C2	C1	H8	112.902
C2	C1	H9	112.902	C2	C4	C5	107.477
C2	C4	H12	124.354	C2	C6	C7	107.477
C2	C6	H14	124.354	C3	C1	H8	112.902
C3	C1	H9	112.902	C3	C5	C4	107.477
C3	C5	H13	124.354	C3	C7	C6	107.477
C3	C7	H15	124.354	C4	C2	C6	106.170
C4	C2	H10	116.482	C4	C5	H13	128.121
C5	C3	C7	106.170	C5	C3	H11	116.482
C5	C4	H12	128.121	C6	C2	H10	116.482
C6	C7	H15	128.121	C7	C3	H11	116.482
C7	C6	H14	128.121	H8	C1	H9	111.760

All results from a given calculation for C₇H₈ (Norbornadiene)

using model chemistry: CID/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 C7H8 (Norbornadiene)

using model chemistry: CID/3-21G

States and conformations

All results from a given calculation for C₇H₈ (Norbornadiene)