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	hartrees
Energy at 0K	-270.829930
Energy at 298.15K	-270.839348
Nuclear repulsion energy	289.502652

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3303	3104	3.80
2	A₁	3190	2998	5.17
3	A₁	3121	2934	28.53
4	A₁	1626	1528	0.03
5	A₁	1510	1420	0.93
6	A₁	1287	1210	3.82
7	A₁	1139	1071	0.36
8	A₁	977	918	2.23
9	A₁	933	877	3.99
10	A₁	795	747	5.03
11	A₁	761	715	41.81
12	A₁	434	408	3.68
13	A₂	3275	3078	0.00
14	A₂	1318	1238	0.00
15	A₂	1272	1196	0.00
16	A₂	1160	1090	0.00
17	A₂	956	899	0.00
18	A₂	909	855	0.00
19	A₂	725	682	0.00
20	A₂	452	425	0.00
21	B₁	3301	3103	10.36
22	B₁	3198	3006	22.16
23	B₁	1587	1491	3.51
24	B₁	1253	1178	1.97
25	B₁	1095	1029	0.34
26	B₁	1047	984	0.29
27	B₁	953	896	1.16
28	B₁	686	645	29.95
29	B₁	513	483	4.94
30	B₂	3276	3079	2.96
31	B₂	3188	2996	38.10
32	B₂	1355	1274	21.62
33	B₂	1284	1207	0.17
34	B₂	1193	1122	0.90
35	B₂	1000	940	0.01
36	B₂	927	871	0.70
37	B₂	909	854	4.28
38	B₂	831	781	6.05
39	B₂	553	520	1.47

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	1.342
C2	0.000	1.114	0.274
C3	0.000	-1.114	0.274
C4	1.229	0.669	-0.516
C5	1.229	-0.669	-0.516
C6	-1.229	0.669	-0.516
C7	-1.229	-0.669	-0.516
H8	-0.901	0.000	1.956
H9	0.901	0.000	1.956
H10	0.000	2.145	0.615
H11	0.000	-2.145	0.615
H12	1.910	1.335	-1.022
H13	1.910	-1.335	-1.022
H14	-1.910	1.335	-1.022
H15	-1.910	-1.335	-1.022

	C1	C2	C3	C4	C5	C6	C7	H8	H9	H10	H11	H12	H13	H14	H15
C1		1.5435	1.5435	2.3265	2.3265	2.3265	2.3265	1.0902	1.0902	2.2651	2.2651	3.3202	3.3202	3.3202	3.3202
C2	1.5435		2.2272	1.5269	2.3047	1.5269	2.3047	2.2096	2.2096	1.0867	3.2767	2.3191	3.3651	2.3191	3.3651
C3	1.5435	2.2272		2.3047	1.5269	2.3047	1.5269	2.2096	2.2096	3.2767	1.0867	3.3651	2.3191	3.3651	2.3191
C4	2.3265	1.5269	2.3047		1.3382	2.4573	2.7981	3.3311	2.5823	2.2292	3.2727	1.0789	2.1764	3.2485	3.7583
C5	2.3265	2.3047	1.5269	1.3382		2.7981	2.4573	3.3311	2.5823	3.2727	2.2292	2.1764	1.0789	3.7583	3.2485
C6	2.3265	1.5269	2.3047	2.4573	2.7981		1.3382	2.5823	3.3311	2.2292	3.2727	3.2485	3.7583	1.0789	2.1764
C7	2.3265	2.3047	1.5269	2.7981	2.4573	1.3382		2.5823	3.3311	3.2727	2.2292	3.7583	3.2485	2.1764	1.0789
H8	1.0902	2.2096	2.2096	3.3311	3.3311	2.5823	2.5823		1.8022	2.6854	2.6854	4.3078	4.3078	3.4163	3.4163
H9	1.0902	2.2096	2.2096	2.5823	2.5823	3.3311	3.3311	1.8022		2.6854	2.6854	3.4163	3.4163	4.3078	4.3078
H10	2.2651	1.0867	3.2767	2.2292	3.2727	2.2292	3.2727	2.6854	2.6854		4.2905	2.6435	4.2945	2.6435	4.2945
H11	2.2651	3.2767	1.0867	3.2727	2.2292	3.2727	2.2292	2.6854	2.6854	4.2905		4.2945	2.6435	4.2945	2.6435
H12	3.3202	2.3191	3.3651	1.0789	2.1764	3.2485	3.7583	4.3078	3.4163	2.6435	4.2945		2.6698	3.8207	4.6610
H13	3.3202	3.3651	2.3191	2.1764	1.0789	3.7583	3.2485	4.3078	3.4163	4.2945	2.6435	2.6698		4.6610	3.8207
H14	3.3202	2.3191	3.3651	3.2485	3.7583	1.0789	2.1764	3.4163	4.3078	2.6435	4.2945	3.8207	4.6610		2.6698
H15	3.3202	3.3651	2.3191	3.7583	3.2485	2.1764	1.0789	3.4163	4.3078	4.2945	2.6435	4.6610	3.8207	2.6698

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	98.526	C1	C2	C6	98.526
C1	C2	H10	117.853	C1	C3	C5	98.526
C1	C3	C7	98.526	C1	C3	H11	117.853
C2	C1	C3	92.353	C2	C1	H8	112.938
C2	C1	H9	112.938	C2	C4	C5	106.925
C2	C4	H12	124.851	C2	C6	C7	106.925
C2	C6	H14	124.851	C3	C1	H8	112.938
C3	C1	H9	112.938	C3	C5	C4	106.925
C3	C5	H13	124.851	C3	C7	C6	106.925
C3	C7	H15	124.851	C4	C2	C6	107.158
C4	C2	H10	116.042	C4	C5	H13	128.106
C5	C3	C7	107.158	C5	C3	H11	116.042
C5	C4	H12	128.106	C6	C2	H10	116.042
C6	C7	H15	128.106	C7	C3	H11	116.042
C7	C6	H14	128.106	H8	C1	H9	111.494

All results from a given calculation for C₇H₈ (Norbornadiene)

using model chemistry: MP2=FULL/6-31G(2df,p)

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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Calc. vs exp. Bad Vib. HF vs MP2 Bad scale factors Low excited states Oddities NaCN Is not linear FAQ Help Units Choose Units Energy Bond length Rotational Constant Moment of Inertia Dipole and Quadrupole Polarizability Explanations Hartree cm-1 Debye Credits Just show me Show me a calculated geometry Summary Using older interface Limit Basis sets Method options List Recent molecules Choose a few Molecules Number of atoms By heavy atoms Diatomics InChI Deuterated Dimers Geometry Point group Point group count Bonds types Isodesmic reactions Bad point group Multiple conformers, states Vibrations Big anharmonicity Energy Enthalpy at 0 Kelvin Similar molecules Similar Isomers Cis/trans Tautomers Multiple conformers, states Ions, Dipoles, etc. List Ions Ionization changes point group Dipole Quadrupole Polarizability Proton Affinities Index of CCCBDB Feedback Error form Wants
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All results from a given calculation for C7H8 (Norbornadiene)

using model chemistry: MP2=FULL/6-31G(2df,p)

States and conformations

All results from a given calculation for C₇H₈ (Norbornadiene)