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	hartrees
Energy at 0K	-270.839669
Energy at 298.15K	-270.849044
Nuclear repulsion energy	288.086563

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3271	3103	6.46
2	A₁	3167	3005	6.90
3	A₁	3098	2938	37.37
4	A₁	1614	1531	0.13
5	A₁	1514	1436	1.61
6	A₁	1265	1200	5.11
7	A₁	1128	1070	0.31
8	A₁	965	915	1.98
9	A₁	914	867	6.32
10	A₁	793	752	1.76
11	A₁	742	704	58.28
12	A₁	429	407	5.62
13	A₂	3243	3077	0.00
14	A₂	1307	1240	0.00
15	A₂	1270	1205	0.00
16	A₂	1148	1089	0.00
17	A₂	944	895	0.00
18	A₂	895	849	0.00
19	A₂	720	683	0.00
20	A₂	452	429	0.00
21	B₁	3269	3101	15.70
22	B₁	3173	3010	30.08
23	B₁	1575	1494	4.55
24	B₁	1242	1178	2.50
25	B₁	1081	1025	0.50
26	B₁	1041	987	0.13
27	B₁	940	892	1.56
28	B₁	671	637	37.02
29	B₁	513	487	7.00
30	B₂	3245	3078	7.38
31	B₂	3165	3002	49.33
32	B₂	1349	1280	22.31
33	B₂	1281	1215	0.10
34	B₂	1178	1118	0.53
35	B₂	983	932	0.00
36	B₂	915	868	0.06
37	B₂	894	848	4.57
38	B₂	824	782	6.45
39	B₂	550	522	1.27

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	1.348
C2	0.000	1.120	0.274
C3	0.000	-1.120	0.274
C4	1.235	0.673	-0.518
C5	1.235	-0.673	-0.518
C6	-1.235	0.673	-0.518
C7	-1.235	-0.673	-0.518
H8	-0.904	0.000	1.964
H9	0.904	0.000	1.964
H10	0.000	2.155	0.618
H11	0.000	-2.155	0.618
H12	1.923	1.340	-1.024
H13	1.923	-1.340	-1.024
H14	-1.923	1.340	-1.024
H15	-1.923	-1.340	-1.024

	C1	C2	C3	C4	C5	C6	C7	H8	H9	H10	H11	H12	H13	H14	H15
C1		1.5519	1.5519	2.3368	2.3368	2.3368	2.3368	1.0941	1.0941	2.2752	2.2752	3.3346	3.3346	3.3346	3.3346
C2	1.5519		2.2405	1.5340	2.3169	1.5340	2.3169	2.2200	2.2200	1.0907	3.2934	2.3303	3.3815	2.3303	3.3815
C3	1.5519	2.2405		2.3169	1.5340	2.3169	1.5340	2.2200	2.2200	3.2934	1.0907	3.3815	2.3303	3.3815	2.3303
C4	2.3368	1.5340	2.3169		1.3456	2.4705	2.8131	3.3452	2.5927	2.2394	3.2886	1.0834	2.1862	3.2671	3.7789
C5	2.3368	2.3169	1.5340	1.3456		2.8131	2.4705	3.3452	2.5927	3.2886	2.2394	2.1862	1.0834	3.7789	3.2671
C6	2.3368	1.5340	2.3169	2.4705	2.8131		1.3456	2.5927	3.3452	2.2394	3.2886	3.2671	3.7789	1.0834	2.1862
C7	2.3368	2.3169	1.5340	2.8131	2.4705	1.3456		2.5927	3.3452	3.2886	2.2394	3.7789	3.2671	2.1862	1.0834
H8	1.0941	2.2200	2.2200	3.3452	3.3452	2.5927	2.5927		1.8086	2.6966	2.6966	4.3262	4.3262	3.4294	3.4294
H9	1.0941	2.2200	2.2200	2.5927	2.5927	3.3452	3.3452	1.8086		2.6966	2.6966	3.4294	3.4294	4.3262	4.3262
H10	2.2752	1.0907	3.2934	2.2394	3.2886	2.2394	3.2886	2.6966	2.6966		4.3102	2.6571	4.3140	2.6571	4.3140
H11	2.2752	3.2934	1.0907	3.2886	2.2394	3.2886	2.2394	2.6966	2.6966	4.3102		4.3140	2.6571	4.3140	2.6571
H12	3.3346	2.3303	3.3815	1.0834	2.1862	3.2671	3.7789	4.3262	3.4294	2.6571	4.3140		2.6798	3.8455	4.6871
H13	3.3346	3.3815	2.3303	2.1862	1.0834	3.7789	3.2671	4.3262	3.4294	4.3140	2.6571	2.6798		4.6871	3.8455
H14	3.3346	2.3303	3.3815	3.2671	3.7789	1.0834	2.1862	3.4294	4.3262	2.6571	4.3140	3.8455	4.6871		2.6798
H15	3.3346	3.3815	2.3303	3.7789	3.2671	2.1862	1.0834	3.4294	4.3262	4.3140	2.6571	4.6871	3.8455	2.6798

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	98.439	C1	C2	C6	98.439
C1	C2	H10	117.787	C1	C3	C5	98.439
C1	C3	C7	98.439	C1	C3	H11	117.787
C2	C1	C3	92.414	C2	C1	H8	112.928
C2	C1	H9	112.928	C2	C4	C5	106.959
C2	C4	H12	124.928	C2	C6	C7	106.959
C2	C6	H14	124.928	C3	C1	H8	112.928
C3	C1	H9	112.928	C3	C5	C4	106.959
C3	C5	H13	124.928	C3	C7	C6	106.959
C3	C7	H15	124.928	C4	C2	C6	107.260
C4	C2	H10	116.096	C4	C5	H13	128.004
C5	C3	C7	107.260	C5	C3	H11	116.096
C5	C4	H12	128.004	C6	C2	H10	116.096
C6	C7	H15	128.004	C7	C3	H11	116.096
C7	C6	H14	128.004	H8	C1	H9	111.485

All results from a given calculation for C₇H₈ (Norbornadiene)

using model chemistry: MP2=FULL/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: MP2=FULL/6-311G**

States and conformations

All results from a given calculation for C₇H₈ (Norbornadiene)