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	hartrees
Energy at 0K	-268.796479
Energy at 298.15K	-268.805847
Nuclear repulsion energy	284.659160

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3272	3124	5.62
2	A₁	3185	3041	6.49
3	A₁	3109	2969	25.54
4	A₁	1589	1517	0.08
5	A₁	1560	1489	0.39
6	A₁	1269	1211	4.66
7	A₁	1164	1112	0.15
8	A₁	954	911	3.26
9	A₁	875	835	12.41
10	A₁	798	762	2.59
11	A₁	750	716	56.74
12	A₁	440	420	6.11
13	A₂	3239	3092	0.00
14	A₂	1333	1273	0.00
15	A₂	1305	1246	0.00
16	A₂	1181	1128	0.00
17	A₂	919	878	0.00
18	A₂	887	847	0.00
19	A₂	741	707	0.00
20	A₂	460	440	0.00
21	B₁	3267	3120	18.24
22	B₁	3183	3039	24.60
23	B₁	1561	1490	1.68
24	B₁	1256	1199	3.03
25	B₁	1129	1078	0.07
26	B₁	1057	1009	1.06
27	B₁	875	836	3.30
28	B₁	685	654	37.47
29	B₁	503	481	7.26
30	B₂	3241	3094	8.85
31	B₂	3179	3036	31.87
32	B₂	1373	1311	20.85
33	B₂	1323	1263	0.54
34	B₂	1185	1132	0.50
35	B₂	975	931	0.02
36	B₂	918	876	2.16
37	B₂	888	848	0.37
38	B₂	797	761	5.40
39	B₂	555	530	1.20

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	1.378
C2	0.000	1.141	0.282
C3	0.000	-1.141	0.282
C4	1.249	0.675	-0.530
C5	1.249	-0.675	-0.530
C6	-1.249	0.675	-0.530
C7	-1.249	-0.675	-0.530
H8	-0.908	0.000	1.988
H9	0.908	0.000	1.988
H10	0.000	2.177	0.618
H11	0.000	-2.177	0.618
H12	1.938	1.343	-1.031
H13	1.938	-1.343	-1.031
H14	-1.938	1.343	-1.031
H15	-1.938	-1.343	-1.031

	C1	C2	C3	C4	C5	C6	C7	H8	H9	H10	H11	H12	H13	H14	H15
C1		1.5821	1.5821	2.3783	2.3783	2.3783	2.3783	1.0939	1.0939	2.3055	2.3055	3.3709	3.3709	3.3709	3.3709
C2	1.5821		2.2820	1.5608	2.3490	1.5608	2.3490	2.2446	2.2446	1.0892	3.3349	2.3498	3.4131	2.3498	3.4131
C3	1.5821	2.2820		2.3490	1.5608	2.3490	1.5608	2.2446	2.2446	3.3349	1.0892	3.4131	2.3498	3.4131	2.3498
C4	2.3783	1.5608	2.3490		1.3503	2.4978	2.8394	3.3838	2.6299	2.2660	3.3186	1.0825	2.1903	3.2947	3.8054
C5	2.3783	2.3490	1.5608	1.3503		2.8394	2.4978	3.3838	2.6299	3.3186	2.2660	2.1903	1.0825	3.8054	3.2947
C6	2.3783	1.5608	2.3490	2.4978	2.8394		1.3503	2.6299	3.3838	2.2660	3.3186	3.2947	3.8054	1.0825	2.1903
C7	2.3783	2.3490	1.5608	2.8394	2.4978	1.3503		2.6299	3.3838	3.3186	2.2660	3.8054	3.2947	2.1903	1.0825
H8	1.0939	2.2446	2.2446	3.3838	3.3838	2.6299	2.6299		1.8151	2.7275	2.7275	4.3612	4.3612	3.4617	3.4617
H9	1.0939	2.2446	2.2446	2.6299	2.6299	3.3838	3.3838	1.8151		2.7275	2.7275	3.4617	3.4617	4.3612	4.3612
H10	2.3055	1.0892	3.3349	2.2660	3.3186	2.2660	3.3186	2.7275	2.7275		4.3537	2.6786	4.3434	2.6786	4.3434
H11	2.3055	3.3349	1.0892	3.3186	2.2660	3.3186	2.2660	2.7275	2.7275	4.3537		4.3434	2.6786	4.3434	2.6786
H12	3.3709	2.3498	3.4131	1.0825	2.1903	3.2947	3.8054	4.3612	3.4617	2.6786	4.3434		2.6852	3.8767	4.7158
H13	3.3709	3.4131	2.3498	2.1903	1.0825	3.8054	3.2947	4.3612	3.4617	4.3434	2.6786	2.6852		4.7158	3.8767
H14	3.3709	2.3498	3.4131	3.2947	3.8054	1.0825	2.1903	3.4617	4.3612	2.6786	4.3434	3.8767	4.7158		2.6852
H15	3.3709	3.4131	2.3498	3.8054	3.2947	2.1903	1.0825	3.4617	4.3612	4.3434	2.6786	4.7158	3.8767	2.6852

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	98.347	C1	C2	C6	98.347
C1	C2	H10	118.145	C1	C3	C5	98.347
C1	C3	C7	98.347	C1	C3	H11	118.145
C2	C1	C3	92.305	C2	C1	H8	112.751
C2	C1	H9	112.751	C2	C4	C5	107.365
C2	C4	H12	124.497	C2	C6	C7	107.365
C2	C6	H14	124.497	C3	C1	H8	112.751
C3	C1	H9	112.751	C3	C5	C4	107.365
C3	C5	H13	124.497	C3	C7	C6	107.365
C3	C7	H15	124.497	C4	C2	C6	106.289
C4	C2	H10	116.402	C4	C5	H13	128.068
C5	C3	C7	106.289	C5	C3	H11	116.402
C5	C4	H12	128.068	C6	C2	H10	116.402
C6	C7	H15	128.068	C7	C3	H11	116.402
C7	C6	H14	128.068	H8	C1	H9	112.129

All results from a given calculation for C₇H₈ (Norbornadiene)

using model chemistry: MP2=FULL/3-21G

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/3-21G

States and conformations

All results from a given calculation for C₇H₈ (Norbornadiene)