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	hartrees
Energy at 0K	-270.225358
Energy at 298.15K	-270.234676
Nuclear repulsion energy	283.751984

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3221	3091	10.50
2	A₁	3117	2991	10.70
3	A₁	3047	2924	34.92
4	A₁	1634	1567	0.15
5	A₁	1541	1478	0.53
6	A₁	1261	1210	2.84
7	A₁	1154	1108	0.07
8	A₁	952	913	2.87
9	A₁	876	841	11.88
10	A₁	799	767	0.14
11	A₁	737	707	56.28
12	A₁	432	414	5.80
13	A₂	3188	3059	0.00
14	A₂	1321	1268	0.00
15	A₂	1305	1252	0.00
16	A₂	1153	1106	0.00
17	A₂	914	877	0.00
18	A₂	891	855	0.00
19	A₂	725	696	0.00
20	A₂	448	430	0.00
21	B₁	3217	3087	30.96
22	B₁	3110	2984	36.37
23	B₁	1603	1538	2.45
24	B₁	1263	1212	1.48
25	B₁	1113	1068	0.20
26	B₁	1056	1013	0.77
27	B₁	904	867	1.40
28	B₁	682	654	34.54
29	B₁	500	480	6.11
30	B₂	3190	3061	17.47
31	B₂	3112	2986	52.70
32	B₂	1364	1309	17.02
33	B₂	1313	1260	0.02
34	B₂	1177	1130	0.37
35	B₂	969	930	0.00
36	B₂	907	870	0.60
37	B₂	882	846	1.17
38	B₂	803	771	5.46
39	B₂	559	536	0.71

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	1.375
C2	0.000	1.140	0.275
C3	0.000	-1.140	0.275
C4	1.258	0.678	-0.529
C5	1.258	-0.678	-0.529
C6	-1.258	0.678	-0.529
C7	-1.258	-0.678	-0.529
H8	-0.906	0.000	2.001
H9	0.906	0.000	2.001
H10	0.000	2.183	0.617
H11	0.000	-2.183	0.617
H12	1.955	1.354	-1.024
H13	1.955	-1.354	-1.024
H14	-1.955	1.354	-1.024
H15	-1.955	-1.354	-1.024

	C1	C2	C3	C4	C5	C6	C7	H8	H9	H10	H11	H12	H13	H14	H15
C1		1.5842	1.5842	2.3808	2.3808	2.3808	2.3808	1.1012	1.1012	2.3106	2.3106	3.3782	3.3782	3.3782	3.3782
C2	1.5842		2.2803	1.5628	2.3527	1.5628	2.3527	2.2580	2.2580	1.0971	3.3403	2.3573	3.4254	2.3573	3.4254
C3	1.5842	2.2803		2.3527	1.5628	2.3527	1.5628	2.2580	2.2580	3.3403	1.0971	3.4254	2.3573	3.4254	2.3573
C4	2.3808	1.5628	2.3527		1.3563	2.5152	2.8575	3.3975	2.6430	2.2714	3.3286	1.0902	2.2051	3.3203	3.8338
C5	2.3808	2.3527	1.5628	1.3563		2.8575	2.5152	3.3975	2.6430	3.3286	2.2714	2.2051	1.0902	3.8338	3.3203
C6	2.3808	1.5628	2.3527	2.5152	2.8575		1.3563	2.6430	3.3975	2.2714	3.3286	3.3203	3.8338	1.0902	2.2051
C7	2.3808	2.3527	1.5628	2.8575	2.5152	1.3563		2.6430	3.3975	3.3286	2.2714	3.8338	3.3203	2.2051	1.0902
H8	1.1012	2.2580	2.2580	3.3975	3.3975	2.6430	2.6430		1.8121	2.7386	2.7386	4.3785	4.3785	3.4763	3.4763
H9	1.1012	2.2580	2.2580	2.6430	2.6430	3.3975	3.3975	1.8121		2.7386	2.7386	3.4763	3.4763	4.3785	4.3785
H10	2.3106	1.0971	3.3403	2.2714	3.3286	2.2714	3.3286	2.7386	2.7386		4.3653	2.6836	4.3619	2.6836	4.3619
H11	2.3106	3.3403	1.0971	3.3286	2.2714	3.3286	2.2714	2.7386	2.7386	4.3653		4.3619	2.6836	4.3619	2.6836
H12	3.3782	2.3573	3.4254	1.0902	2.2051	3.3203	3.8338	4.3785	3.4763	2.6836	4.3619		2.7087	3.9105	4.7570
H13	3.3782	3.4254	2.3573	2.2051	1.0902	3.8338	3.3203	4.3785	3.4763	4.3619	2.6836	2.7087		4.7570	3.9105
H14	3.3782	2.3573	3.4254	3.3203	3.8338	1.0902	2.2051	3.4763	4.3785	2.6836	4.3619	3.9105	4.7570		2.7087
H15	3.3782	3.4254	2.3573	3.8338	3.3203	2.2051	1.0902	3.4763	4.3785	4.3619	2.6836	4.7570	3.9105	2.7087

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	98.318	C1	C2	C6	98.318
C1	C2	H10	117.882	C1	C3	C5	98.318
C1	C3	C7	98.318	C1	C3	H11	117.882
C2	C1	C3	92.062	C2	C1	H8	113.240
C2	C1	H9	113.240	C2	C4	C5	107.195
C2	C4	H12	124.412	C2	C6	C7	107.195
C2	C6	H14	124.412	C3	C1	H8	113.240
C3	C1	H9	113.240	C3	C5	C4	107.195
C3	C5	H13	124.412	C3	C7	C6	107.195
C3	C7	H15	124.412	C4	C2	C6	107.164
C4	C2	H10	116.186	C4	C5	H13	128.334
C5	C3	C7	107.164	C5	C3	H11	116.186
C5	C4	H12	128.334	C6	C2	H10	116.186
C6	C7	H15	128.334	C7	C3	H11	116.186
C7	C6	H14	128.334	H8	C1	H9	110.731

All results from a given calculation for C₇H₈ (Norbornadiene)

using model chemistry: CCD/6-31G

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: CCD/6-31G

States and conformations

All results from a given calculation for C₇H₈ (Norbornadiene)