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	hartrees
Energy at 0K	-270.778787
Energy at 298.15K	-270.788128
Nuclear repulsion energy	288.085977

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3262	3090	7.49
2	A₁	3162	2994	7.41
3	A₁	3098	2934	37.40
4	A₁	1617	1532	0.04
5	A₁	1534	1453	2.59
6	A₁	1264	1198	7.50
7	A₁	1134	1074	0.37
8	A₁	969	918	2.03
9	A₁	914	866	7.80
10	A₁	796	754	1.68
11	A₁	734	695	64.96
12	A₁	427	404	7.42
13	A₂	3235	3064	0.00
14	A₂	1313	1243	0.00
15	A₂	1276	1209	0.00
16	A₂	1152	1091	0.00
17	A₂	945	895	0.00
18	A₂	874	828	0.00
19	A₂	722	684	0.00
20	A₂	454	430	0.00
21	B₁	3260	3088	18.13
22	B₁	3172	3004	29.68
23	B₁	1578	1495	3.39
24	B₁	1246	1180	3.59
25	B₁	1087	1030	1.18
26	B₁	1047	992	0.41
27	B₁	940	891	1.74
28	B₁	666	630	41.57
29	B₁	513	486	9.44
30	B₂	3237	3065	9.51
31	B₂	3159	2992	50.91
32	B₂	1351	1280	27.32
33	B₂	1285	1217	0.00
34	B₂	1178	1116	0.70
35	B₂	985	933	0.01
36	B₂	914	866	0.28
37	B₂	874	828	4.67
38	B₂	826	782	8.12
39	B₂	551	522	1.23

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	1.348
C2	0.000	1.121	0.275
C3	0.000	-1.121	0.275
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	-0.902	0.000	1.966
H9	0.902	0.000	1.966
H10	0.000	2.156	0.621
H11	0.000	-2.156	0.621
H12	1.921	1.339	-1.029
H13	1.921	-1.339	-1.029
H14	-1.921	1.339	-1.029
H15	-1.921	-1.339	-1.029

	C1	C2	C3	C4	C5	C6	C7	H8	H9	H10	H11	H12	H13	H14	H15
C1		1.5517	1.5517	2.3365	2.3365	2.3365	2.3365	1.0937	1.0937	2.2749	2.2749	3.3365	3.3365	3.3365	3.3365
C2	1.5517		2.2412	1.5340	2.3170	1.5340	2.3170	2.2206	2.2206	1.0913	3.2943	2.3316	3.3820	2.3316	3.3820
C3	1.5517	2.2412		2.3170	1.5340	2.3170	1.5340	2.2206	2.2206	3.2943	1.0913	3.3820	2.3316	3.3820	2.3316
C4	2.3365	1.5340	2.3170		1.3455	2.4690	2.8118	3.3453	2.5954	2.2405	3.2895	1.0842	2.1860	3.2649	3.7766
C5	2.3365	2.3170	1.5340	1.3455		2.8118	2.4690	3.3453	2.5954	3.2895	2.2405	2.1860	1.0842	3.7766	3.2649
C6	2.3365	1.5340	2.3170	2.4690	2.8118		1.3455	2.5954	3.3453	2.2405	3.2895	3.2649	3.7766	1.0842	2.1860
C7	2.3365	2.3170	1.5340	2.8118	2.4690	1.3455		2.5954	3.3453	3.2895	2.2405	3.7766	3.2649	2.1860	1.0842
H8	1.0937	2.2206	2.2206	3.3453	3.3453	2.5954	2.5954		1.8042	2.6964	2.6964	4.3282	4.3282	3.4355	3.4355
H9	1.0937	2.2206	2.2206	2.5954	2.5954	3.3453	3.3453	1.8042		2.6964	2.6964	3.4355	3.4355	4.3282	4.3282
H10	2.2749	1.0913	3.2943	2.2405	3.2895	2.2405	3.2895	2.6964	2.6964		4.3110	2.6604	4.3154	2.6604	4.3154
H11	2.2749	3.2943	1.0913	3.2895	2.2405	3.2895	2.2405	2.6964	2.6964	4.3110		4.3154	2.6604	4.3154	2.6604
H12	3.3365	2.3316	3.3820	1.0842	2.1860	3.2649	3.7766	4.3282	3.4355	2.6604	4.3154		2.6779	3.8412	4.6825
H13	3.3365	3.3820	2.3316	2.1860	1.0842	3.7766	3.2649	4.3282	3.4355	4.3154	2.6604	2.6779		4.6825	3.8412
H14	3.3365	2.3316	3.3820	3.2649	3.7766	1.0842	2.1860	3.4355	4.3282	2.6604	4.3154	3.8412	4.6825		2.6779
H15	3.3365	3.3820	2.3316	3.7766	3.2649	2.1860	1.0842	3.4355	4.3282	4.3154	2.6604	4.6825	3.8412	2.6779

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	98.435	C1	C2	C6	98.435
C1	C2	H10	117.741	C1	C3	C5	98.435
C1	C3	C7	98.435	C1	C3	H11	117.741
C2	C1	C3	92.471	C2	C1	H8	113.022
C2	C1	H9	113.022	C2	C4	C5	106.974
C2	C4	H12	124.989	C2	C6	C7	106.974
C2	C6	H14	124.989	C3	C1	H8	113.022
C3	C1	H9	113.022	C3	C5	C4	106.974
C3	C5	H13	124.989	C3	C7	C6	106.974
C3	C7	H15	124.989	C4	C2	C6	107.172
C4	C2	H10	116.156	C4	C5	H13	127.911
C5	C3	C7	107.172	C5	C3	H11	116.156
C5	C4	H12	127.911	C6	C2	H10	116.156
C6	C7	H15	127.911	C7	C3	H11	116.156
C7	C6	H14	127.911	H8	C1	H9	111.140

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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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)