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	hartrees
Energy at 0K	-270.669022
Energy at 298.15K	-270.678419
Nuclear repulsion energy	288.436403

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3312	3111	6.65
2	A₁	3202	3008	6.78
3	A₁	3136	2945	37.97
4	A₁	1633	1534	0.29
5	A₁	1536	1443	1.36
6	A₁	1282	1204	4.99
7	A₁	1146	1076	0.55
8	A₁	973	913	2.45
9	A₁	915	859	7.73
10	A₁	799	750	1.32
11	A₁	747	701	72.98
12	A₁	429	403	8.12
13	A₂	3285	3085	0.00
14	A₂	1327	1246	0.00
15	A₂	1296	1217	0.00
16	A₂	1154	1084	0.00
17	A₂	953	895	0.00
18	A₂	907	852	0.00
19	A₂	725	681	0.00
20	A₂	454	426	0.00
21	B₁	3310	3109	16.55
22	B₁	3211	3016	29.17
23	B₁	1593	1496	10.53
24	B₁	1261	1185	2.71
25	B₁	1102	1035	0.87
26	B₁	1056	992	0.29
27	B₁	946	889	1.43
28	B₁	680	638	45.00
29	B₁	515	484	9.30
30	B₂	3286	3087	8.50
31	B₂	3200	3005	50.70
32	B₂	1372	1289	23.41
33	B₂	1303	1223	0.02
34	B₂	1193	1121	0.84
35	B₂	986	926	0.00
36	B₂	923	867	0.37
37	B₂	903	848	4.41
38	B₂	829	779	6.63
39	B₂	555	521	1.20

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	1.345
C2	0.000	1.119	0.271
C3	0.000	-1.119	0.271
C4	1.234	0.673	-0.517
C5	1.234	-0.673	-0.517
C6	-1.234	0.673	-0.517
C7	-1.234	-0.673	-0.517
H8	-0.898	0.000	1.962
H9	0.898	0.000	1.962
H10	0.000	2.152	0.613
H11	0.000	-2.152	0.613
H12	1.921	1.338	-1.020
H13	1.921	-1.338	-1.020
H14	-1.921	1.338	-1.020
H15	-1.921	-1.338	-1.020

	C1	C2	C3	C4	C5	C6	C7	H8	H9	H10	H11	H12	H13	H14	H15
C1		1.5512	1.5512	2.3334	2.3334	2.3334	2.3334	1.0900	1.0900	2.2729	2.2729	3.3278	3.3278	3.3278	3.3278
C2	1.5512		2.2388	1.5311	2.3150	1.5311	2.3150	2.2180	2.2180	1.0872	3.2888	2.3251	3.3758	2.3251	3.3758
C3	1.5512	2.2388		2.3150	1.5311	2.3150	1.5311	2.2180	2.2180	3.2888	1.0872	3.3758	2.3251	3.3758	2.3251
C4	2.3334	1.5311	2.3150		1.3467	2.4689	2.8124	3.3390	2.5909	2.2328	3.2834	1.0798	2.1838	3.2639	3.7758
C5	2.3334	2.3150	1.5311	1.3467		2.8124	2.4689	3.3390	2.5909	3.2834	2.2328	2.1838	1.0798	3.7758	3.2639
C6	2.3334	1.5311	2.3150	2.4689	2.8124		1.3467	2.5909	3.3390	2.2328	3.2834	3.2639	3.7758	1.0798	2.1838
C7	2.3334	2.3150	1.5311	2.8124	2.4689	1.3467		2.5909	3.3390	3.2834	2.2328	3.7758	3.2639	2.1838	1.0798
H8	1.0900	2.2180	2.2180	3.3390	3.3390	2.5909	2.5909		1.7969	2.6941	2.6941	4.3167	4.3167	3.4247	3.4247
H9	1.0900	2.2180	2.2180	2.5909	2.5909	3.3390	3.3390	1.7969		2.6941	2.6941	3.4247	3.4247	4.3167	4.3167
H10	2.2729	1.0872	3.2888	2.2328	3.2834	2.2328	3.2834	2.6941	2.6941		4.3033	2.6494	4.3049	2.6494	4.3049
H11	2.2729	3.2888	1.0872	3.2834	2.2328	3.2834	2.2328	2.6941	2.6941	4.3033		4.3049	2.6494	4.3049	2.6494
H12	3.3278	2.3251	3.3758	1.0798	2.1838	3.2639	3.7758	4.3167	3.4247	2.6494	4.3049		2.6754	3.8426	4.6823
H13	3.3278	3.3758	2.3251	2.1838	1.0798	3.7758	3.2639	4.3167	3.4247	4.3049	2.6494	2.6754		4.6823	3.8426
H14	3.3278	2.3251	3.3758	3.2639	3.7758	1.0798	2.1838	3.4247	4.3167	2.6494	4.3049	3.8426	4.6823		2.6754
H15	3.3278	3.3758	2.3251	3.7758	3.2639	2.1838	1.0798	3.4247	4.3167	4.3049	2.6494	4.6823	3.8426	2.6754

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	98.403	C1	C2	C6	98.403
C1	C2	H10	117.885	C1	C3	C5	98.403
C1	C3	C7	98.403	C1	C3	H11	117.885
C2	C1	C3	92.380	C2	C1	H8	113.076
C2	C1	H9	113.076	C2	C4	C5	106.938
C2	C4	H12	124.986	C2	C6	C7	106.938
C2	C6	H14	124.986	C3	C1	H8	113.076
C3	C1	H9	113.076	C3	C5	C4	106.938
C3	C5	H13	124.986	C3	C7	C6	106.938
C3	C7	H15	124.986	C4	C2	C6	107.470
C4	C2	H10	115.994	C4	C5	H13	127.968
C5	C3	C7	107.470	C5	C3	H11	115.994
C5	C4	H12	127.968	C6	C2	H10	115.994
C6	C7	H15	127.968	C7	C3	H11	115.994
C7	C6	H14	127.968	H8	C1	H9	111.033

All results from a given calculation for C₇H₈ (Norbornadiene)

using model chemistry: MP2=FULL/6-31+G**

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=FULL/6-31+G**

States and conformations

All results from a given calculation for C₇H₈ (Norbornadiene)