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	hartrees
Energy at 0K	-43.499754
Energy at 298.15K	-43.508971
Nuclear repulsion energy	144.726534

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3183	3106	13.41
2	A₁	3090	3016	13.02
3	A₁	2996	2925	53.74
4	A₁	1539	1502	1.14
5	A₁	1514	1477	0.73
6	A₁	1210	1181	4.71
7	A₁	1123	1096	0.30
8	A₁	934	912	4.36
9	A₁	863	842	19.28
10	A₁	777	758	0.18
11	A₁	704	687	78.04
12	A₁	425	414	7.46
13	A₂	3148	3072	0.00
14	A₂	1280	1249	0.00
15	A₂	1272	1242	0.00
16	A₂	1116	1089	0.00
17	A₂	912	890	0.00
18	A₂	867	846	0.00
19	A₂	706	689	0.00
20	A₂	434	424	0.00
21	B₁	3178	3102	39.08
22	B₁	3083	3009	45.09
23	B₁	1503	1467	6.70
24	B₁	1222	1192	2.89
25	B₁	1079	1053	1.21
26	B₁	1024	999	0.57
27	B₁	896	875	2.22
28	B₁	688	672	47.50
29	B₁	482	470	6.01
30	B₂	3150	3074	26.98
31	B₂	3085	3011	71.84
32	B₂	1324	1292	18.81
33	B₂	1275	1244	0.02
34	B₂	1108	1081	1.04
35	B₂	948	925	0.03
36	B₂	878	857	0.70
37	B₂	839	819	0.22
38	B₂	780	762	6.82
39	B₂	545	532	0.91

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	1.381
C2	0.000	1.150	0.273
C3	0.000	-1.150	0.273
C4	1.268	0.689	-0.531
C5	1.268	-0.689	-0.531
C6	-1.268	0.689	-0.531
C7	-1.268	-0.689	-0.531
H8	-0.911	0.000	2.003
H9	0.911	0.000	2.003
H10	0.000	2.195	0.609
H11	0.000	-2.195	0.609
H12	1.981	1.365	-1.007
H13	1.981	-1.365	-1.007
H14	-1.981	1.365	-1.007
H15	-1.981	-1.365	-1.007

	C1	C2	C3	C4	C5	C6	C7	H8	H9	H10	H11	H12	H13	H14	H15
C1		1.5973	1.5973	2.3960	2.3960	2.3960	2.3960	1.1031	1.1031	2.3273	2.3273	3.3901	3.3901	3.3901	3.3901
C2	1.5973		2.2998	1.5704	2.3739	1.5704	2.3739	2.2687	2.2687	1.0981	3.3621	2.3683	3.4476	2.3683	3.4476
C3	1.5973	2.2998		2.3739	1.5704	2.3739	1.5704	2.2687	2.2687	3.3621	1.0981	3.4476	2.3683	3.4476	2.3683
C4	2.3960	1.5704	2.3739		1.3781	2.5357	2.8859	3.4127	2.6506	2.2751	3.3506	1.0917	2.2256	3.3524	3.8730
C5	2.3960	2.3739	1.5704	1.3781		2.8859	2.5357	3.4127	2.6506	3.3506	2.2751	2.2256	1.0917	3.8730	3.3524
C6	2.3960	1.5704	2.3739	2.5357	2.8859		1.3781	2.6506	3.4127	2.2751	3.3506	3.3524	3.8730	1.0917	2.2256
C7	2.3960	2.3739	1.5704	2.8859	2.5357	1.3781		2.6506	3.4127	3.3506	2.2751	3.8730	3.3524	2.2256	1.0917
H8	1.1031	2.2687	2.2687	3.4127	3.4127	2.6506	2.6506		1.8224	2.7557	2.7557	4.3920	4.3920	3.4741	3.4741
H9	1.1031	2.2687	2.2687	2.6506	2.6506	3.4127	3.4127	1.8224		2.7557	2.7557	3.4741	3.4741	4.3920	4.3920
H10	2.3273	1.0981	3.3621	2.2751	3.3506	2.2751	3.3506	2.7557	2.7557		4.3906	2.6881	4.3830	2.6881	4.3830
H11	2.3273	3.3621	1.0981	3.3506	2.2751	3.3506	2.2751	2.7557	2.7557	4.3906		4.3830	2.6881	4.3830	2.6881
H12	3.3901	2.3683	3.4476	1.0917	2.2256	3.3524	3.8730	4.3920	3.4741	2.6881	4.3830		2.7296	3.9621	4.8113
H13	3.3901	3.4476	2.3683	2.2256	1.0917	3.8730	3.3524	4.3920	3.4741	4.3830	2.6881	2.7296		4.8113	3.9621
H14	3.3901	2.3683	3.4476	3.3524	3.8730	1.0917	2.2256	3.4741	4.3920	2.6881	4.3830	3.9621	4.8113		2.7296
H15	3.3901	3.4476	2.3683	3.8730	3.3524	2.2256	1.0917	3.4741	4.3920	4.3830	2.6881	4.8113	3.9621	2.7296

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	98.285	C1	C2	C6	98.285
C1	C2	H10	118.217	C1	C3	C5	98.285
C1	C3	C7	98.285	C1	C3	H11	118.217
C2	C1	C3	92.089	C2	C1	H8	113.031
C2	C1	H9	113.031	C2	C4	C5	107.066
C2	C4	H12	124.678	C2	C6	C7	107.066
C2	C6	H14	124.678	C3	C1	H8	113.031
C3	C1	H9	113.031	C3	C5	C4	107.066
C3	C5	H13	124.678	C3	C7	C6	107.066
C3	C7	H15	124.678	C4	C2	C6	107.671
C4	C2	H10	115.856	C4	C5	H13	128.242
C5	C3	C7	107.671	C5	C3	H11	115.856
C5	C4	H12	128.242	C6	C2	H10	115.856
C6	C7	H15	128.242	C7	C3	H11	115.856
C7	C6	H14	128.242	H8	C1	H9	111.384

All results from a given calculation for C₇H₈ (Norbornadiene)

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 C7H8 (Norbornadiene)

using model chemistry: MP2/CEP-121G

States and conformations

All results from a given calculation for C₇H₈ (Norbornadiene)