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	hartrees
Energy at 0K	-270.588125
Energy at 298.15K	-270.597510
Nuclear repulsion energy	288.445683

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3286	3096	6.09
2	A₁	3177	2994	7.08
3	A₁	3119	2938	33.58
4	A₁	1648	1553	0.02
5	A₁	1548	1459	0.49
6	A₁	1292	1218	4.60
7	A₁	1155	1088	0.30
8	A₁	980	923	2.19
9	A₁	924	871	5.43
10	A₁	804	758	1.06
11	A₁	746	703	54.15
12	A₁	435	410	4.90
13	A₂	3260	3072	0.00
14	A₂	1337	1259	0.00
15	A₂	1300	1225	0.00
16	A₂	1164	1097	0.00
17	A₂	958	903	0.00
18	A₂	891	839	0.00
19	A₂	729	687	0.00
20	A₂	457	430	0.00
21	B₁	3284	3095	17.34
22	B₁	3188	3004	29.36
23	B₁	1610	1517	2.78
24	B₁	1273	1199	1.96
25	B₁	1110	1046	0.56
26	B₁	1064	1003	0.35
27	B₁	950	895	1.33
28	B₁	680	641	33.68
29	B₁	516	487	6.90
30	B₂	3262	3073	7.32
31	B₂	3175	2992	45.96
32	B₂	1376	1297	21.95
33	B₂	1307	1232	0.02
34	B₂	1203	1133	0.70
35	B₂	995	938	0.00
36	B₂	922	869	0.10
37	B₂	892	840	3.65
38	B₂	835	787	6.83
39	B₂	557	525	1.37

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	1.345
C2	0.000	1.118	0.272
C3	0.000	-1.118	0.272
C4	1.234	0.672	-0.517
C5	1.234	-0.672	-0.517
C6	-1.234	0.672	-0.517
C7	-1.234	-0.672	-0.517
H8	-0.901	0.000	1.966
H9	0.901	0.000	1.966
H10	0.000	2.155	0.616
H11	0.000	-2.155	0.616
H12	1.923	1.340	-1.022
H13	1.923	-1.340	-1.022
H14	-1.923	1.340	-1.022
H15	-1.923	-1.340	-1.022

	C1	C2	C3	C4	C5	C6	C7	H8	H9	H10	H11	H12	H13	H14	H15
C1		1.5495	1.5495	2.3327	2.3327	2.3327	2.3327	1.0945	1.0945	2.2747	2.2747	3.3309	3.3309	3.3309	3.3309
C2	1.5495		2.2360	1.5312	2.3125	1.5312	2.3125	2.2209	2.2209	1.0923	3.2907	2.3282	3.3783	2.3282	3.3783
C3	1.5495	2.2360		2.3125	1.5312	2.3125	1.5312	2.2209	2.2209	3.2907	1.0923	3.3783	2.3282	3.3783	2.3282
C4	2.3327	1.5312	2.3125		1.3431	2.4676	2.8095	3.3432	2.5943	2.2375	3.2855	1.0845	2.1854	3.2656	3.7768
C5	2.3327	2.3125	1.5312	1.3431		2.8095	2.4676	3.3432	2.5943	3.2855	2.2375	2.1854	1.0845	3.7768	3.2656
C6	2.3327	1.5312	2.3125	2.4676	2.8095		1.3431	2.5943	3.3432	2.2375	3.2855	3.2656	3.7768	1.0845	2.1854
C7	2.3327	2.3125	1.5312	2.8095	2.4676	1.3431		2.5943	3.3432	3.2855	2.2375	3.7768	3.2656	2.1854	1.0845
H8	1.0945	2.2209	2.2209	3.3432	3.3432	2.5943	2.5943		1.8021	2.6978	2.6978	4.3243	4.3243	3.4308	3.4308
H9	1.0945	2.2209	2.2209	2.5943	2.5943	3.3432	3.3432	1.8021		2.6978	2.6978	3.4308	3.4308	4.3243	4.3243
H10	2.2747	1.0923	3.2907	2.2375	3.2855	2.2375	3.2855	2.6978	2.6978		4.3094	2.6539	4.3120	2.6539	4.3120
H11	2.2747	3.2907	1.0923	3.2855	2.2375	3.2855	2.2375	2.6978	2.6978	4.3094		4.3120	2.6539	4.3120	2.6539
H12	3.3309	2.3282	3.3783	1.0845	2.1854	3.2656	3.7768	4.3243	3.4308	2.6539	4.3120		2.6802	3.8450	4.6870
H13	3.3309	3.3783	2.3282	2.1854	1.0845	3.7768	3.2656	4.3243	3.4308	4.3120	2.6539	2.6802		4.6870	3.8450
H14	3.3309	2.3282	3.3783	3.2656	3.7768	1.0845	2.1854	3.4308	4.3243	2.6539	4.3120	3.8450	4.6870		2.6802
H15	3.3309	3.3783	2.3282	3.7768	3.2656	2.1854	1.0845	3.4308	4.3243	4.3120	2.6539	4.6870	3.8450	2.6802

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	98.429	C1	C2	C6	98.429
C1	C2	H10	117.821	C1	C3	C5	98.429
C1	C3	C7	98.429	C1	C3	H11	117.821
C2	C1	C3	92.357	C2	C1	H8	113.148
C2	C1	H9	113.148	C2	C4	C5	106.951
C2	C4	H12	124.887	C2	C6	C7	106.951
C2	C6	H14	124.887	C3	C1	H8	113.148
C3	C1	H9	113.148	C3	C5	C4	106.951
C3	C5	H13	124.887	C3	C7	C6	106.951
C3	C7	H15	124.887	C4	C2	C6	107.369
C4	C2	H10	116.044	C4	C5	H13	128.057
C5	C3	C7	107.369	C5	C3	H11	116.044
C5	C4	H12	128.057	C6	C2	H10	116.044
C6	C7	H15	128.057	C7	C3	H11	116.044
C7	C6	H14	128.057	H8	C1	H9	110.816

All results from a given calculation for C₇H₈ (Norbornadiene)

using model chemistry: MP2=FULL/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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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*

States and conformations

All results from a given calculation for C₇H₈ (Norbornadiene)