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	hartrees
Energy at 0K	-270.596375
Energy at 298.15K	-270.605788
Nuclear repulsion energy	287.631463

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3265	3091	7.89
2	A₁	3156	2987	9.31
3	A₁	3100	2935	35.71
4	A₁	1691	1600	0.06
5	A₁	1551	1468	0.42
6	A₁	1299	1229	2.87
7	A₁	1161	1099	0.18
8	A₁	977	925	2.70
9	A₁	926	876	7.06
10	A₁	810	766	0.60
11	A₁	753	712	51.90
12	A₁	435	412	5.23
13	A₂	3238	3065	0.00
14	A₂	1352	1280	0.00
15	A₂	1303	1233	0.00
16	A₂	1165	1102	0.00
17	A₂	954	903	0.00
18	A₂	905	857	0.00
19	A₂	731	692	0.00
20	A₂	454	430	0.00
21	B₁	3263	3089	22.06
22	B₁	3160	2991	32.74
23	B₁	1654	1565	2.87
24	B₁	1288	1219	0.69
25	B₁	1116	1057	0.49
26	B₁	1068	1011	0.65
27	B₁	952	902	1.50
28	B₁	685	648	31.34
29	B₁	519	491	6.08
30	B₂	3240	3067	11.40
31	B₂	3154	2985	52.96
32	B₂	1382	1309	20.44
33	B₂	1312	1242	0.00
34	B₂	1219	1154	0.47
35	B₂	995	942	0.04
36	B₂	930	880	0.32
37	B₂	904	855	3.17
38	B₂	838	793	6.62
39	B₂	562	532	1.15

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	1.351
C2	0.000	1.121	0.274
C3	0.000	-1.121	0.274
C4	1.240	0.670	-0.520
C5	1.240	-0.670	-0.520
C6	-1.240	0.670	-0.520
C7	-1.240	-0.670	-0.520
H8	-0.901	0.000	1.975
H9	0.901	0.000	1.975
H10	0.000	2.159	0.619
H11	0.000	-2.159	0.619
H12	1.930	1.340	-1.024
H13	1.930	-1.340	-1.024
H14	-1.930	1.340	-1.024
H15	-1.930	-1.340	-1.024

	C1	C2	C3	C4	C5	C6	C7	H8	H9	H10	H11	H12	H13	H14	H15
C1		1.5537	1.5537	2.3421	2.3421	2.3421	2.3421	1.0962	1.0962	2.2793	2.2793	3.3405	3.3405	3.3405	3.3405
C2	1.5537		2.2410	1.5398	2.3180	1.5398	2.3180	2.2273	2.2273	1.0939	3.2973	2.3365	3.3860	2.3365	3.3860
C3	1.5537	2.2410		2.3180	1.5398	2.3180	1.5398	2.2273	2.2273	3.2973	1.0939	3.3860	2.3365	3.3860	2.3365
C4	2.3421	1.5398	2.3180		1.3397	2.4792	2.8180	3.3553	2.6060	2.2475	3.2917	1.0862	2.1841	3.2790	3.7871
C5	2.3421	2.3180	1.5398	1.3397		2.8180	2.4792	3.3553	2.6060	3.2917	2.2475	2.1841	1.0862	3.7871	3.2790
C6	2.3421	1.5398	2.3180	2.4792	2.8180		1.3397	2.6060	3.3553	2.2475	3.2917	3.2790	3.7871	1.0862	2.1841
C7	2.3421	2.3180	1.5398	2.8180	2.4792	1.3397		2.6060	3.3553	3.2917	2.2475	3.7871	3.2790	2.1841	1.0862
H8	1.0962	2.2273	2.2273	3.3553	3.3553	2.6060	2.6060		1.8016	2.7039	2.7039	4.3365	4.3365	3.4423	3.4423
H9	1.0962	2.2273	2.2273	2.6060	2.6060	3.3553	3.3553	1.8016		2.7039	2.7039	3.4423	3.4423	4.3365	4.3365
H10	2.2793	1.0939	3.2973	2.2475	3.2917	2.2475	3.2917	2.7039	2.7039		4.3174	2.6636	4.3204	2.6636	4.3204
H11	2.2793	3.2973	1.0939	3.2917	2.2475	3.2917	2.2475	2.7039	2.7039	4.3174		4.3204	2.6636	4.3204	2.6636
H12	3.3405	2.3365	3.3860	1.0862	2.1841	3.2790	3.7871	4.3365	3.4423	2.6636	4.3204		2.6800	3.8610	4.7000
H13	3.3405	3.3860	2.3365	2.1841	1.0862	3.7871	3.2790	4.3365	3.4423	4.3204	2.6636	2.6800		4.7000	3.8610
H14	3.3405	2.3365	3.3860	3.2790	3.7871	1.0862	2.1841	3.4423	4.3365	2.6636	4.3204	3.8610	4.7000		2.6800
H15	3.3405	3.3860	2.3365	3.7871	3.2790	2.1841	1.0862	3.4423	4.3365	4.3204	2.6636	4.7000	3.8610	2.6800

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	98.416	C1	C2	C6	98.416
C1	C2	H10	117.782	C1	C3	C5	98.416
C1	C3	C7	98.416	C1	C3	H11	117.782
C2	C1	C3	92.305	C2	C1	H8	113.254
C2	C1	H9	113.254	C2	C4	C5	107.019
C2	C4	H12	124.789	C2	C6	C7	107.019
C2	C6	H14	124.789	C3	C1	H8	113.254
C3	C1	H9	113.254	C3	C5	C4	107.019
C3	C5	H13	124.789	C3	C7	C6	107.019
C3	C7	H15	124.789	C4	C2	C6	107.230
C4	C2	H10	116.128	C4	C5	H13	128.099
C5	C3	C7	107.230	C5	C3	H11	116.128
C5	C4	H12	128.099	C6	C2	H10	116.128
C6	C7	H15	128.099	C7	C3	H11	116.128
C7	C6	H14	128.099	H8	C1	H9	110.511

All results from a given calculation for C₇H₈ (Norbornadiene)

using model chemistry: CCD/6-31G*

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: CCD/6-31G*

States and conformations

All results from a given calculation for C₇H₈ (Norbornadiene)