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	hartrees
Energy at 0K	-269.681327
Energy at 298.15K	-269.691131
Nuclear repulsion energy	289.252798

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3381	3062	10.36
2	A₁	3257	2949	16.42
3	A₁	3197	2895	53.33
4	A₁	1809	1638	0.17
5	A₁	1625	1472	0.05
6	A₁	1383	1252	0.84
7	A₁	1225	1109	0.14
8	A₁	1009	914	8.31
9	A₁	964	873	12.37
10	A₁	840	760	4.76
11	A₁	833	755	39.78
12	A₁	460	417	4.13
13	A₂	3350	3033	0.00
14	A₂	1431	1296	0.00
15	A₂	1381	1250	0.00
16	A₂	1225	1109	0.00
17	A₂	1053	954	0.00
18	A₂	976	884	0.00
19	A₂	772	699	0.00
20	A₂	484	439	0.00
21	B₁	3378	3059	28.65
22	B₁	3251	2944	48.47
23	B₁	1767	1600	5.17
24	B₁	1365	1236	0.01
25	B₁	1182	1070	0.20
26	B₁	1125	1019	0.64
27	B₁	980	887	3.98
28	B₁	763	691	27.92
29	B₁	552	499	3.81
30	B₂	3352	3035	17.38
31	B₂	3253	2946	86.86
32	B₂	1467	1329	25.01
33	B₂	1393	1262	0.01
34	B₂	1300	1177	0.62
35	B₂	1076	975	4.16
36	B₂	1019	923	1.25
37	B₂	959	869	0.06
38	B₂	864	783	8.23
39	B₂	598	541	2.11

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	1.349
C2	0.000	1.113	0.271
C3	0.000	-1.113	0.271
C4	1.240	0.658	-0.519
C5	1.240	-0.658	-0.519
C6	-1.240	0.658	-0.519
C7	-1.240	-0.658	-0.519
H8	-0.891	0.000	1.967
H9	0.891	0.000	1.967
H10	0.000	2.141	0.605
H11	0.000	-2.141	0.605
H12	1.931	1.320	-1.007
H13	1.931	-1.320	-1.007
H14	-1.931	1.320	-1.007
H15	-1.931	-1.320	-1.007

	C1	C2	C3	C4	C5	C6	C7	H8	H9	H10	H11	H12	H13	H14	H15
C1		1.5499	1.5499	2.3372	2.3372	2.3372	2.3372	1.0841	1.0841	2.2669	2.2669	3.3194	3.3194	3.3194	3.3194
C2	1.5499		2.2265	1.5395	2.3023	1.5395	2.3023	2.2160	2.2160	1.0811	3.2718	2.3242	3.3584	2.3242	3.3584
C3	1.5499	2.2265		2.3023	1.5395	2.3023	1.5395	2.2160	2.2160	3.2718	1.0811	3.3584	2.3242	3.3584	2.3242
C4	2.3372	1.5395	2.3023		1.3162	2.4810	2.8085	3.3403	2.5958	2.2368	3.2619	1.0731	2.1507	3.2759	3.7690
C5	2.3372	2.3023	1.5395	1.3162		2.8085	2.4810	3.3403	2.5958	3.2619	2.2368	2.1507	1.0731	3.7690	3.2759
C6	2.3372	1.5395	2.3023	2.4810	2.8085		1.3162	2.5958	3.3403	2.2368	3.2619	3.2759	3.7690	1.0731	2.1507
C7	2.3372	2.3023	1.5395	2.8085	2.4810	1.3162		2.5958	3.3403	3.2619	2.2368	3.7690	3.2759	2.1507	1.0731
H8	1.0841	2.2160	2.2160	3.3403	3.3403	2.5958	2.5958		1.7812	2.6896	2.6896	4.3064	4.3064	3.4158	3.4158
H9	1.0841	2.2160	2.2160	2.5958	2.5958	3.3403	3.3403	1.7812		2.6896	2.6896	3.4158	3.4158	4.3064	4.3064
H10	2.2669	1.0811	3.2718	2.2368	3.2619	2.2368	3.2619	2.6896	2.6896		4.2828	2.6458	4.2784	2.6458	4.2784
H11	2.2669	3.2718	1.0811	3.2619	2.2368	3.2619	2.2368	2.6896	2.6896	4.2828		4.2784	2.6458	4.2784	2.6458
H12	3.3194	2.3242	3.3584	1.0731	2.1507	3.2759	3.7690	4.3064	3.4158	2.6458	4.2784		2.6395	3.8613	4.6772
H13	3.3194	3.3584	2.3242	2.1507	1.0731	3.7690	3.2759	4.3064	3.4158	4.2784	2.6458	2.6395		4.6772	3.8613
H14	3.3194	2.3242	3.3584	3.2759	3.7690	1.0731	2.1507	3.4158	4.3064	2.6458	4.2784	3.8613	4.6772		2.6395
H15	3.3194	3.3584	2.3242	3.7690	3.2759	2.1507	1.0731	3.4158	4.3064	4.2784	2.6458	4.6772	3.8613	2.6395

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	98.319	C1	C2	C6	98.319
C1	C2	H10	117.897	C1	C3	C5	98.319
C1	C3	C7	98.319	C1	C3	H11	117.897
C2	C1	C3	91.827	C2	C1	H8	113.373
C2	C1	H9	113.373	C2	C4	C5	107.197
C2	C4	H12	124.678	C2	C6	C7	107.197
C2	C6	H14	124.678	C3	C1	H8	113.373
C3	C1	H9	113.373	C3	C5	C4	107.197
C3	C5	H13	124.678	C3	C7	C6	107.197
C3	C7	H15	124.678	C4	C2	C6	107.366
C4	C2	H10	116.096	C4	C5	H13	128.066
C5	C3	C7	107.366	C5	C3	H11	116.096
C5	C4	H12	128.066	C6	C2	H10	116.096
C6	C7	H15	128.066	C7	C3	H11	116.096
C7	C6	H14	128.066	H8	C1	H9	110.471

All results from a given calculation for C₇H₈ (Norbornadiene)

using model chemistry: HF/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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Number	Element	Mulliken
1	C	-0.215
2	C	-0.140
3	C	-0.140
4	C	-0.139
5	C	-0.139
6	C	-0.139
7	C	-0.139
8	H	0.124
9	H	0.124
10	H	0.113
11	H	0.113
12	H	0.144
13	H	0.144
14	H	0.144
15	H	0.144

<r²>	151.296
(<r²>)^1/2	12.300

All results from a given calculation for C7H8 (Norbornadiene)

using model chemistry: HF/6-31G(2df,p)

States and conformations

All results from a given calculation for C₇H₈ (Norbornadiene)