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	hartrees
Energy at 0K	-271.304756
Energy at 298.15K	-271.314644
HF Energy	-271.497422
Nuclear repulsion energy	287.508524

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3237	3123	8.54
2	A₁	3119	3010	9.88
3	A₁	3052	2945	45.17
4	A₁	1658	1600	0.20
5	A₁	1490	1438	0.28
6	A₁	1262	1218	1.56
7	A₁	1133	1094	0.20
8	A₁	948	915	3.05
9	A₁	890	858	6.69
10	A₁	782	755	0.19
11	A₁	757	731	40.16
12	A₁	430	415	2.89
13	A₂	3208	3096	0.00
14	A₂	1293	1248	0.00
15	A₂	1264	1220	0.00
16	A₂	1133	1093	0.00
17	A₂	926	893	0.00
18	A₂	903	871	0.00
19	A₂	721	696	0.00
20	A₂	453	437	0.00
21	B₁	3234	3121	22.31
22	B₁	3112	3004	37.96
23	B₁	1618	1561	6.59
24	B₁	1236	1193	0.65
25	B₁	1089	1051	0.05
26	B₁	1035	999	0.22
27	B₁	899	868	1.68
28	B₁	687	663	25.91
29	B₁	505	488	4.20
30	B₂	3210	3097	12.21
31	B₂	3117	3008	63.37
32	B₂	1344	1297	20.05
33	B₂	1275	1231	0.11
34	B₂	1174	1133	0.96
35	B₂	963	929	0.24
36	B₂	934	901	2.98
37	B₂	888	857	1.21
38	B₂	807	779	6.31
39	B₂	549	530	1.70

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	1.355
C2	0.000	1.122	0.272
C3	0.000	-1.122	0.272
C4	1.244	0.666	-0.521
C5	1.244	-0.666	-0.521
C6	-1.244	0.666	-0.521
C7	-1.244	-0.666	-0.521
H8	-0.900	0.000	1.976
H9	0.900	0.000	1.976
H10	0.000	2.158	0.609
H11	0.000	-2.158	0.609
H12	1.933	1.338	-1.015
H13	1.933	-1.338	-1.015
H14	-1.933	1.338	-1.015
H15	-1.933	-1.338	-1.015

	C1	C2	C3	C4	C5	C6	C7	H8	H9	H10	H11	H12	H13	H14	H15
C1		1.5593	1.5593	2.3472	2.3472	2.3472	2.3472	1.0936	1.0936	2.2830	2.2830	3.3381	3.3381	3.3381	3.3381
C2	1.5593		2.2431	1.5437	2.3177	1.5437	2.3177	2.2302	2.2302	1.0896	3.2965	2.3320	3.3824	2.3320	3.3824
C3	1.5593	2.2431		2.3177	1.5437	2.3177	1.5437	2.2302	2.2302	3.2965	1.0896	3.3824	2.3320	3.3824	2.3320
C4	2.3472	1.5437	2.3177		1.3323	2.4884	2.8226	3.3580	2.6072	2.2469	3.2860	1.0817	2.1760	3.2848	3.7888
C5	2.3472	2.3177	1.5437	1.3323		2.8226	2.4884	3.3580	2.6072	3.2860	2.2469	2.1760	1.0817	3.7888	3.2848
C6	2.3472	1.5437	2.3177	2.4884	2.8226		1.3323	2.6072	3.3580	2.2469	3.2860	3.2848	3.7888	1.0817	2.1760
C7	2.3472	2.3177	1.5437	2.8226	2.4884	1.3323		2.6072	3.3580	3.2860	2.2469	3.7888	3.2848	2.1760	1.0817
H8	1.0936	2.2302	2.2302	3.3580	3.3580	2.6072	2.6072		1.7997	2.7084	2.7084	4.3317	4.3317	3.4360	3.4360
H9	1.0936	2.2302	2.2302	2.6072	2.6072	3.3580	3.3580	1.7997		2.7084	2.7084	3.4360	3.4360	4.3317	4.3317
H10	2.2830	1.0896	3.2965	2.2469	3.2860	2.2469	3.2860	2.7084	2.7084		4.3154	2.6543	4.3119	2.6543	4.3119
H11	2.2830	3.2965	1.0896	3.2860	2.2469	3.2860	2.2469	2.7084	2.7084	4.3154		4.3119	2.6543	4.3119	2.6543
H12	3.3381	2.3320	3.3824	1.0817	2.1760	3.2848	3.7888	4.3317	3.4360	2.6543	4.3119		2.6759	3.8659	4.7016
H13	3.3381	3.3824	2.3320	2.1760	1.0817	3.7888	3.2848	4.3317	3.4360	4.3119	2.6543	2.6759		4.7016	3.8659
H14	3.3381	2.3320	3.3824	3.2848	3.7888	1.0817	2.1760	3.4360	4.3317	2.6543	4.3119	3.8659	4.7016		2.6759
H15	3.3381	3.3824	2.3320	3.7888	3.2848	2.1760	1.0817	3.4360	4.3317	4.3119	2.6543	4.7016	3.8659	2.6759

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	98.234	C1	C2	C6	98.234
C1	C2	H10	118.077	C1	C3	C5	98.234
C1	C3	C7	98.234	C1	C3	H11	118.077
C2	C1	C3	92.203	C2	C1	H8	113.266
C2	C1	H9	113.266	C2	C4	C5	107.211
C2	C4	H12	124.403	C2	C6	C7	107.211
C2	C6	H14	124.403	C3	C1	H8	113.266
C3	C1	H9	113.266	C3	C5	C4	107.211
C3	C5	H13	124.403	C3	C7	C6	107.211
C3	C7	H15	124.403	C4	C2	C6	107.243
C4	C2	H10	116.131	C4	C5	H13	128.309
C5	C3	C7	107.243	C5	C3	H11	116.131
C5	C4	H12	128.309	C6	C2	H10	116.131
C6	C7	H15	128.309	C7	C3	H11	116.131
C7	C6	H14	128.309	H8	C1	H9	110.545

All results from a given calculation for C₇H₈ (Norbornadiene)

using model chemistry: G4

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	-0.189
2	C	-0.104
3	C	-0.104
4	C	-0.072
5	C	-0.072
6	C	-0.072
7	C	-0.072
8	H	0.093
9	H	0.093
10	H	0.057
11	H	0.057
12	H	0.096
13	H	0.096
14	H	0.096
15	H	0.096

<r²>	152.530
(<r²>)^1/2	12.350

All results from a given calculation for C7H8 (Norbornadiene)

using model chemistry: G4

States and conformations

All results from a given calculation for C₇H₈ (Norbornadiene)