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	hartrees
Energy at 0K	-271.406749
Energy at 298.15K	-271.415850
Nuclear repulsion energy	285.359495

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3144	3132	11.16
2	A₁	3037	3025	10.91
3	A₁	2971	2960	53.05
4	A₁	1586	1580	0.29
5	A₁	1455	1449	1.20
6	A₁	1210	1205	3.46
7	A₁	1095	1090	0.18
8	A₁	914	911	2.61
9	A₁	843	839	9.42
10	A₁	758	755	0.13
11	A₁	718	716	51.14
12	A₁	415	413	4.95
13	A₂	3117	3105	0.00
14	A₂	1242	1237	0.00
15	A₂	1226	1222	0.00
16	A₂	1099	1095	0.00
17	A₂	884	881	0.00
18	A₂	857	854	0.00
19	A₂	702	699	0.00
20	A₂	441	440	0.00
21	B₁	3141	3129	26.98
22	B₁	3026	3015	43.48
23	B₁	1547	1541	8.18
24	B₁	1186	1182	2.40
25	B₁	1053	1049	0.21
26	B₁	1006	1002	0.31
27	B₁	845	842	2.44
28	B₁	645	643	34.14
29	B₁	488	486	6.87
30	B₂	3118	3106	18.40
31	B₂	3034	3022	69.31
32	B₂	1295	1290	22.04
33	B₂	1236	1231	0.01
34	B₂	1128	1124	1.00
35	B₂	927	923	0.08
36	B₂	901	897	3.12
37	B₂	850	847	2.41
38	B₂	773	770	6.02
39	B₂	530	528	1.42

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	1.368
C2	0.000	1.131	0.275
C3	0.000	-1.131	0.275
C4	1.253	0.671	-0.525
C5	1.253	-0.671	-0.525
C6	-1.253	0.671	-0.525
C7	-1.253	-0.671	-0.525
H8	-0.904	0.000	1.992
H9	0.904	0.000	1.992
H10	0.000	2.173	0.614
H11	0.000	-2.173	0.614
H12	1.942	1.345	-1.029
H13	1.942	-1.345	-1.029
H14	-1.942	1.345	-1.029
H15	-1.942	-1.345	-1.029

	C1	C2	C3	C4	C5	C6	C7	H8	H9	H10	H11	H12	H13	H14	H15
C1		1.5736	1.5736	2.3673	2.3673	2.3673	2.3673	1.0987	1.0987	2.3003	2.3003	3.3657	3.3657	3.3657	3.3657
C2	1.5736		2.2630	1.5558	2.3363	1.5558	2.3363	2.2468	2.2468	1.0952	3.3218	2.3489	3.4067	2.3489	3.4067
C3	1.5736	2.2630		2.3363	1.5558	2.3363	1.5558	2.2468	2.2468	3.3218	1.0952	3.4067	2.3489	3.4067	2.3489
C4	2.3673	1.5558	2.3363		1.3425	2.5054	2.8424	3.3822	2.6282	2.2629	3.3098	1.0880	2.1899	3.3040	3.8116
C5	2.3673	2.3363	1.5558	1.3425		2.8424	2.5054	3.3822	2.6282	3.3098	2.2629	2.1899	1.0880	3.8116	3.3040
C6	2.3673	1.5558	2.3363	2.5054	2.8424		1.3425	2.6282	3.3822	2.2629	3.3098	3.3040	3.8116	1.0880	2.1899
C7	2.3673	2.3363	1.5558	2.8424	2.5054	1.3425		2.6282	3.3822	3.3098	2.2629	3.8116	3.3040	2.1899	1.0880
H8	1.0987	2.2468	2.2468	3.3822	3.3822	2.6282	2.6282		1.8090	2.7277	2.7277	4.3634	4.3634	3.4658	3.4658
H9	1.0987	2.2468	2.2468	2.6282	2.6282	3.3822	3.3822	1.8090		2.7277	2.7277	3.4658	3.4658	4.3634	4.3634
H10	2.3003	1.0952	3.3218	2.2629	3.3098	2.2629	3.3098	2.7277	2.7277		4.3460	2.6749	4.3414	2.6749	4.3414
H11	2.3003	3.3218	1.0952	3.3098	2.2629	3.3098	2.2629	2.7277	2.7277	4.3460		4.3414	2.6749	4.3414	2.6749
H12	3.3657	2.3489	3.4067	1.0880	2.1899	3.3040	3.8116	4.3634	3.4658	2.6749	4.3414		2.6905	3.8847	4.7254
H13	3.3657	3.4067	2.3489	2.1899	1.0880	3.8116	3.3040	4.3634	3.4658	4.3414	2.6749	2.6905		4.7254	3.8847
H14	3.3657	2.3489	3.4067	3.3040	3.8116	1.0880	2.1899	3.4658	4.3634	2.6749	4.3414	3.8847	4.7254		2.6905
H15	3.3657	3.4067	2.3489	3.8116	3.3040	2.1899	1.0880	3.4658	4.3634	4.3414	2.6749	4.7254	3.8847	2.6905

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	98.307	C1	C2	C6	98.307
C1	C2	H10	117.950	C1	C3	C5	98.307
C1	C3	C7	98.307	C1	C3	H11	117.950
C2	C1	C3	91.951	C2	C1	H8	113.239
C2	C1	H9	113.239	C2	C4	C5	107.208
C2	C4	H12	124.409	C2	C6	C7	107.208
C2	C6	H14	124.409	C3	C1	H8	113.239
C3	C1	H9	113.239	C3	C5	C4	107.208
C3	C5	H13	124.409	C3	C7	C6	107.208
C3	C7	H15	124.409	C4	C2	C6	107.256
C4	C2	H10	116.127	C4	C5	H13	128.281
C5	C3	C7	107.256	C5	C3	H11	116.127
C5	C4	H12	128.281	C6	C2	H10	116.127
C6	C7	H15	128.281	C7	C3	H11	116.127
C7	C6	H14	128.281	H8	C1	H9	110.812

All results from a given calculation for C₇H₈ (Norbornadiene)

using model chemistry: BLYP/6-311G**

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	-0.119
2	C	-0.187
3	C	-0.187
4	C	-0.059
5	C	-0.059
6	C	-0.059
7	C	-0.059
8	H	0.104
9	H	0.104
10	H	0.098
11	H	0.098
12	H	0.082
13	H	0.082
14	H	0.082
15	H	0.082

<r²>	155.116
(<r²>)^1/2	12.455

All results from a given calculation for C7H8 (Norbornadiene)

using model chemistry: BLYP/6-311G**

States and conformations

All results from a given calculation for C₇H₈ (Norbornadiene)