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	hartrees
Energy at 0K	-270.767820
Energy at 298.15K	-270.777194
Nuclear repulsion energy	288.454774

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3293	3111	3.90
2	A₁	3185	3008	5.06
3	A₁	3115	2942	28.99
4	A₁	1620	1530	0.05
5	A₁	1503	1420	0.77
6	A₁	1275	1204	3.68
7	A₁	1136	1073	0.28
8	A₁	967	913	2.15
9	A₁	919	868	4.40
10	A₁	788	745	3.91
11	A₁	755	713	43.25
12	A₁	430	406	3.44
13	A₂	3266	3085	0.00
14	A₂	1309	1236	0.00
15	A₂	1270	1200	0.00
16	A₂	1147	1084	0.00
17	A₂	947	894	0.00
18	A₂	906	855	0.00
19	A₂	720	680	0.00
20	A₂	450	425	0.00
21	B₁	3292	3109	10.75
22	B₁	3193	3015	22.50
23	B₁	1581	1494	3.59
24	B₁	1245	1176	1.70
25	B₁	1090	1030	0.30
26	B₁	1042	984	0.26
27	B₁	941	888	1.27
28	B₁	685	647	29.56
29	B₁	510	481	4.60
30	B₂	3267	3086	3.14
31	B₂	3183	3006	38.18
32	B₂	1351	1276	21.39
33	B₂	1281	1210	0.13
34	B₂	1183	1118	0.81
35	B₂	986	931	0.01
36	B₂	918	867	1.00
37	B₂	902	852	3.43
38	B₂	824	778	6.06
39	B₂	551	520	1.43

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	1.347
C2	0.000	1.119	0.272
C3	0.000	-1.119	0.272
C4	1.235	0.671	-0.517
C5	1.235	-0.671	-0.517
C6	-1.235	0.671	-0.517
C7	-1.235	-0.671	-0.517
H8	-0.902	0.000	1.962
H9	0.902	0.000	1.962
H10	0.000	2.152	0.613
H11	0.000	-2.152	0.613
H12	1.920	1.339	-1.020
H13	1.920	-1.339	-1.020
H14	-1.920	1.339	-1.020
H15	-1.920	-1.339	-1.020

	C1	C2	C3	C4	C5	C6	C7	H8	H9	H10	H11	H12	H13	H14	H15
C1		1.5512	1.5512	2.3351	2.3351	2.3351	2.3351	1.0920	1.0920	2.2738	2.2738	3.3291	3.3291	3.3291	3.3291
C2	1.5512		2.2370	1.5331	2.3133	1.5331	2.3133	2.2183	2.2183	1.0883	3.2883	2.3249	3.3756	2.3249	3.3756
C3	1.5512	2.2370		2.3133	1.5331	2.3133	1.5331	2.2183	2.2183	3.2883	1.0883	3.3756	2.3249	3.3756	2.3249
C4	2.3351	1.5331	2.3133		1.3415	2.4707	2.8114	3.3419	2.5903	2.2357	3.2821	1.0805	2.1816	3.2640	3.7743
C5	2.3351	2.3133	1.5331	1.3415		2.8114	2.4707	3.3419	2.5903	3.2821	2.2357	2.1816	1.0805	3.7743	3.2640
C6	2.3351	1.5331	2.3133	2.4707	2.8114		1.3415	2.5903	3.3419	2.2357	3.2821	3.2640	3.7743	1.0805	2.1816
C7	2.3351	2.3133	1.5331	2.8114	2.4707	1.3415		2.5903	3.3419	3.2821	2.2357	3.7743	3.2640	2.1816	1.0805
H8	1.0920	2.2183	2.2183	3.3419	3.3419	2.5903	2.5903		1.8046	2.6955	2.6955	4.3188	4.3188	3.4240	3.4240
H9	1.0920	2.2183	2.2183	2.5903	2.5903	3.3419	3.3419	1.8046		2.6955	2.6955	3.4240	3.4240	4.3188	4.3188
H10	2.2738	1.0883	3.2883	2.2357	3.2821	2.2357	3.2821	2.6955	2.6955		4.3041	2.6486	4.3057	2.6486	4.3057
H11	2.2738	3.2883	1.0883	3.2821	2.2357	3.2821	2.2357	2.6955	2.6955	4.3041		4.3057	2.6486	4.3057	2.6486
H12	3.3291	2.3249	3.3756	1.0805	2.1816	3.2640	3.7743	4.3188	3.4240	2.6486	4.3057		2.6774	3.8394	4.6808
H13	3.3291	3.3756	2.3249	2.1816	1.0805	3.7743	3.2640	4.3188	3.4240	4.3057	2.6486	2.6774		4.6808	3.8394
H14	3.3291	2.3249	3.3756	3.2640	3.7743	1.0805	2.1816	3.4240	4.3188	2.6486	4.3057	3.8394	4.6808		2.6774
H15	3.3291	3.3756	2.3249	3.7743	3.2640	2.1816	1.0805	3.4240	4.3188	4.3057	2.6486	4.6808	3.8394	2.6774

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	98.416	C1	C2	C6	98.416
C1	C2	H10	117.894	C1	C3	C5	98.416
C1	C3	C7	98.416	C1	C3	H11	117.894
C2	C1	C3	92.283	C2	C1	H8	112.973
C2	C1	H9	112.973	C2	C4	C5	106.982
C2	C4	H12	124.724	C2	C6	C7	106.982
C2	C6	H14	124.724	C3	C1	H8	112.973
C3	C1	H9	112.973	C3	C5	C4	106.982
C3	C5	H13	124.724	C3	C7	C6	106.982
C3	C7	H15	124.724	C4	C2	C6	107.373
C4	C2	H10	116.020	C4	C5	H13	128.183
C5	C3	C7	107.373	C5	C3	H11	116.020
C5	C4	H12	128.183	C6	C2	H10	116.020
C6	C7	H15	128.183	C7	C3	H11	116.020
C7	C6	H14	128.183	H8	C1	H9	111.433

All results from a given calculation for C₇H₈ (Norbornadiene)

using model chemistry: MP2/6-31G(2df,p)

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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All results from a given calculation for C7H8 (Norbornadiene)

using model chemistry: MP2/6-31G(2df,p)

States and conformations

All results from a given calculation for C₇H₈ (Norbornadiene)