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	hartrees
Energy at 0K	-270.697385
Energy at 298.15K	-270.706750
Nuclear repulsion energy	287.052098

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3231	3093	9.88
2	A₁	3127	2994	10.67
3	A₁	3066	2935	40.68
4	A₁	1650	1580	0.05
5	A₁	1538	1473	1.60
6	A₁	1274	1220	4.31
7	A₁	1140	1091	0.23
8	A₁	963	922	2.89
9	A₁	914	875	9.37
10	A₁	800	766	0.80
11	A₁	742	711	60.54
12	A₁	427	409	7.33
13	A₂	3203	3067	0.00
14	A₂	1328	1272	0.00
15	A₂	1279	1224	0.00
16	A₂	1153	1104	0.00
17	A₂	936	896	0.00
18	A₂	888	850	0.00
19	A₂	722	692	0.00
20	A₂	450	431	0.00
21	B₁	3229	3091	24.06
22	B₁	3127	2994	35.51
23	B₁	1614	1545	3.93
24	B₁	1263	1209	1.24
25	B₁	1094	1047	1.05
26	B₁	1051	1006	0.70
27	B₁	938	898	2.07
28	B₁	672	644	37.91
29	B₁	516	494	8.03
30	B₂	3205	3068	15.35
31	B₂	3124	2991	62.29
32	B₂	1359	1301	26.04
33	B₂	1292	1237	0.00
34	B₂	1198	1147	0.43
35	B₂	983	941	0.05
36	B₂	918	879	0.34
37	B₂	887	849	4.50
38	B₂	825	790	8.57
39	B₂	555	531	1.23

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	1.354
C2	0.000	1.124	0.277
C3	0.000	-1.124	0.277
C4	1.242	0.672	-0.522
C5	1.242	-0.672	-0.522
C6	-1.242	0.672	-0.522
C7	-1.242	-0.672	-0.522
H8	-0.902	0.000	1.977
H9	0.902	0.000	1.977
H10	0.000	2.161	0.624
H11	0.000	-2.161	0.624
H12	1.930	1.340	-1.031
H13	1.930	-1.340	-1.031
H14	-1.930	1.340	-1.031
H15	-1.930	-1.340	-1.031

	C1	C2	C3	C4	C5	C6	C7	H8	H9	H10	H11	H12	H13	H14	H15
C1		1.5562	1.5562	2.3476	2.3476	2.3476	2.3476	1.0962	1.0962	2.2809	2.2809	3.3481	3.3481	3.3481	3.3481
C2	1.5562		2.2472	1.5442	2.3244	1.5442	2.3244	2.2283	2.2283	1.0937	3.3027	2.3419	3.3922	2.3419	3.3922
C3	1.5562	2.2472		2.3244	1.5442	2.3244	1.5442	2.2283	2.2283	3.3027	1.0937	3.3922	2.3419	3.3922	2.3419
C4	2.3476	1.5442	2.3244		1.3432	2.4833	2.8233	3.3601	2.6097	2.2522	3.2981	1.0864	2.1863	3.2813	3.7903
C5	2.3476	2.3244	1.5442	1.3432		2.8233	2.4833	3.3601	2.6097	3.2981	2.2522	2.1863	1.0864	3.7903	3.2813
C6	2.3476	1.5442	2.3244	2.4833	2.8233		1.3432	2.6097	3.3601	2.2522	3.2981	3.2813	3.7903	1.0864	2.1863
C7	2.3476	2.3244	1.5442	2.8233	2.4833	1.3432		2.6097	3.3601	3.2981	2.2522	3.7903	3.2813	2.1863	1.0864
H8	1.0962	2.2283	2.2283	3.3601	3.3601	2.6097	2.6097		1.8039	2.7044	2.7044	4.3434	4.3434	3.4498	3.4498
H9	1.0962	2.2283	2.2283	2.6097	2.6097	3.3601	3.3601	1.8039		2.7044	2.7044	3.4498	3.4498	4.3434	4.3434
H10	2.2809	1.0937	3.3027	2.2522	3.2981	2.2522	3.2981	2.7044	2.7044		4.3218	2.6719	4.3267	2.6719	4.3267
H11	2.2809	3.3027	1.0937	3.2981	2.2522	3.2981	2.2522	2.7044	2.7044	4.3218		4.3267	2.6719	4.3267	2.6719
H12	3.3481	2.3419	3.3922	1.0864	2.1863	3.2813	3.7903	4.3434	3.4498	2.6719	4.3267		2.6798	3.8605	4.6995
H13	3.3481	3.3922	2.3419	2.1863	1.0864	3.7903	3.2813	4.3434	3.4498	4.3267	2.6719	2.6798		4.6995	3.8605
H14	3.3481	2.3419	3.3922	3.2813	3.7903	1.0864	2.1863	3.4498	4.3434	2.6719	4.3267	3.8605	4.6995		2.6798
H15	3.3481	3.3922	2.3419	3.7903	3.2813	2.1863	1.0864	3.4498	4.3434	4.3267	2.6719	4.6995	3.8605	2.6798

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	98.433	C1	C2	C6	98.433
C1	C2	H10	117.744	C1	C3	C5	98.433
C1	C3	C7	98.433	C1	C3	H11	117.744
C2	C1	C3	92.445	C2	C1	H8	113.156
C2	C1	H9	113.156	C2	C4	C5	107.021
C2	C4	H12	124.904	C2	C6	C7	107.021
C2	C6	H14	124.904	C3	C1	H8	113.156
C3	C1	H9	113.156	C3	C5	C4	107.021
C3	C5	H13	124.904	C3	C7	C6	107.021
C3	C7	H15	124.904	C4	C2	C6	107.044
C4	C2	H10	116.208	C4	C5	H13	127.964
C5	C3	C7	107.044	C5	C3	H11	116.208
C5	C4	H12	127.964	C6	C2	H10	116.208
C6	C7	H15	127.964	C7	C3	H11	116.208
C7	C6	H14	127.964	H8	C1	H9	110.726

All results from a given calculation for C₇H₈ (Norbornadiene)

using model chemistry: QCISD/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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All results from a given calculation for C7H8 (Norbornadiene)

using model chemistry: QCISD/6-311G*

States and conformations

All results from a given calculation for C₇H₈ (Norbornadiene)