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	hartrees
Energy at 0K	-270.671343
Energy at 298.15K	-270.680779
Nuclear repulsion energy	287.748840

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3304	3110	8.81
2	A₁	3189	3002	10.70
3	A₁	3127	2944	40.90
4	A₁	1682	1583	0.16
5	A₁	1554	1463	0.02
6	A₁	1302	1225	1.43
7	A₁	1160	1092	0.07
8	A₁	973	916	2.86
9	A₁	924	869	5.88
10	A₁	807	759	0.60
11	A₁	756	712	47.18
12	A₁	436	410	4.12
13	A₂	3276	3084	0.00
14	A₂	1353	1274	0.00
15	A₂	1307	1230	0.00
16	A₂	1167	1099	0.00
17	A₂	950	894	0.00
18	A₂	913	859	0.00
19	A₂	728	685	0.00
20	A₂	453	426	0.00
21	B₁	3301	3108	24.32
22	B₁	3191	3004	37.80
23	B₁	1646	1549	3.95
24	B₁	1288	1212	0.19
25	B₁	1117	1051	0.09
26	B₁	1067	1004	0.34
27	B₁	949	893	1.56
28	B₁	687	647	28.54
29	B₁	518	488	4.68
30	B₂	3278	3086	12.88
31	B₂	3185	2999	59.77
32	B₂	1389	1307	17.24
33	B₂	1317	1240	0.00
34	B₂	1220	1148	0.45
35	B₂	992	934	0.02
36	B₂	930	876	1.59
37	B₂	908	855	2.31
38	B₂	834	785	6.31
39	B₂	561	528	1.37

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	1.350
C2	0.000	1.121	0.274
C3	0.000	-1.121	0.274
C4	1.241	0.671	-0.520
C5	1.241	-0.671	-0.520
C6	-1.241	0.671	-0.520
C7	-1.241	-0.671	-0.520
H8	-0.897	0.000	1.970
H9	0.897	0.000	1.970
H10	0.000	2.154	0.617
H11	0.000	-2.154	0.617
H12	1.929	1.337	-1.020
H13	1.929	-1.337	-1.020
H14	-1.929	1.337	-1.020
H15	-1.929	-1.337	-1.020

	C1	C2	C3	C4	C5	C6	C7	H8	H9	H10	H11	H12	H13	H14	H15
C1		1.5535	1.5535	2.3420	2.3420	2.3420	2.3420	1.0909	1.0909	2.2748	2.2748	3.3350	3.3350	3.3350	3.3350
C2	1.5535		2.2419	1.5402	2.3195	1.5402	2.3195	2.2222	2.2222	1.0882	3.2926	2.3327	3.3816	2.3327	3.3816
C3	1.5535	2.2419		2.3195	1.5402	2.3195	1.5402	2.2222	2.2222	3.2926	1.0882	3.3816	2.3327	3.3816	2.3327
C4	2.3420	1.5402	2.3195		1.3417	2.4811	2.8206	3.3499	2.6019	2.2431	3.2879	1.0803	2.1804	3.2769	3.7848
C5	2.3420	2.3195	1.5402	1.3417		2.8206	2.4811	3.3499	2.6019	3.2879	2.2431	2.1804	1.0803	3.7848	3.2769
C6	2.3420	1.5402	2.3195	2.4811	2.8206		1.3417	2.6019	3.3499	2.2431	3.2879	3.2769	3.7848	1.0803	2.1804
C7	2.3420	2.3195	1.5402	2.8206	2.4811	1.3417		2.6019	3.3499	3.2879	2.2431	3.7848	3.2769	2.1804	1.0803
H8	1.0909	2.2222	2.2222	3.3499	3.3499	2.6019	2.6019		1.7944	2.6971	2.6971	4.3260	4.3260	3.4340	3.4340
H9	1.0909	2.2222	2.2222	2.6019	2.6019	3.3499	3.3499	1.7944		2.6971	2.6971	3.4340	3.4340	4.3260	4.3260
H10	2.2748	1.0882	3.2926	2.2431	3.2879	2.2431	3.2879	2.6971	2.6971		4.3074	2.6586	4.3109	2.6586	4.3109
H11	2.2748	3.2926	1.0882	3.2879	2.2431	3.2879	2.2431	2.6971	2.6971	4.3074		4.3109	2.6586	4.3109	2.6586
H12	3.3350	2.3327	3.3816	1.0803	2.1804	3.2769	3.7848	4.3260	3.4340	2.6586	4.3109		2.6735	3.8576	4.6934
H13	3.3350	3.3816	2.3327	2.1804	1.0803	3.7848	3.2769	4.3260	3.4340	4.3109	2.6586	2.6735		4.6934	3.8576
H14	3.3350	2.3327	3.3816	3.2769	3.7848	1.0803	2.1804	3.4340	4.3260	2.6586	4.3109	3.8576	4.6934		2.6735
H15	3.3350	3.3816	2.3327	3.7848	3.2769	2.1804	1.0803	3.4340	4.3260	4.3109	2.6586	4.6934	3.8576	2.6735

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	98.403	C1	C2	C6	98.403
C1	C2	H10	117.809	C1	C3	C5	98.403
C1	C3	C7	98.403	C1	C3	H11	117.809
C2	C1	C3	92.371	C2	C1	H8	113.196
C2	C1	H9	113.196	C2	C4	C5	106.991
C2	C4	H12	124.863	C2	C6	C7	106.991
C2	C6	H14	124.863	C3	C1	H8	113.196
C3	C1	H9	113.196	C3	C5	C4	106.991
C3	C5	H13	124.863	C3	C7	C6	106.991
C3	C7	H15	124.863	C4	C2	C6	107.301
C4	C2	H10	116.097	C4	C5	H13	128.055
C5	C3	C7	107.301	C5	C3	H11	116.097
C5	C4	H12	128.055	C6	C2	H10	116.097
C6	C7	H15	128.055	C7	C3	H11	116.097
C7	C6	H14	128.055	H8	C1	H9	110.652

All results from a given calculation for C₇H₈ (Norbornadiene)

using model chemistry: QCISD/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: QCISD/6-31G**

States and conformations

All results from a given calculation for C₇H₈ (Norbornadiene)