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	hartrees
Energy at 0K	-270.618272
Energy at 298.15K	-270.627607
Nuclear repulsion energy	286.486989

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3275	3119	5.35
2	A₁	3171	3020	7.06
3	A₁	3098	2951	36.27
4	A₁	1618	1541	0.14
5	A₁	1481	1411	0.93
6	A₁	1262	1202	3.76
7	A₁	1120	1067	0.33
8	A₁	959	914	1.80
9	A₁	909	866	5.07
10	A₁	787	750	2.63
11	A₁	740	705	50.74
12	A₁	426	406	4.54
13	A₂	3246	3092	0.00
14	A₂	1304	1242	0.00
15	A₂	1258	1198	0.00
16	A₂	1132	1079	0.00
17	A₂	939	894	0.00
18	A₂	891	849	0.00
19	A₂	716	682	0.00
20	A₂	448	427	0.00
21	B₁	3273	3118	13.83
22	B₁	3178	3027	29.26
23	B₁	1579	1504	4.55
24	B₁	1236	1177	1.81
25	B₁	1073	1022	0.47
26	B₁	1030	981	0.09
27	B₁	941	896	1.61
28	B₁	667	635	31.53
29	B₁	506	482	5.41
30	B₂	3248	3094	6.24
31	B₂	3168	3018	47.50
32	B₂	1342	1278	19.49
33	B₂	1268	1208	0.04
34	B₂	1177	1121	0.61
35	B₂	974	928	0.00
36	B₂	911	868	0.28
37	B₂	891	849	4.25
38	B₂	820	781	6.39
39	B₂	549	522	1.32

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	1.353
C2	0.000	1.126	0.275
C3	0.000	-1.126	0.275
C4	1.242	0.678	-0.520
C5	1.242	-0.678	-0.520
C6	-1.242	0.678	-0.520
C7	-1.242	-0.678	-0.520
H8	-0.911	0.000	1.975
H9	0.911	0.000	1.975
H10	0.000	2.169	0.621
H11	0.000	-2.169	0.621
H12	1.936	1.348	-1.033
H13	1.936	-1.348	-1.033
H14	-1.936	1.348	-1.033
H15	-1.936	-1.348	-1.033

	C1	C2	C3	C4	C5	C6	C7	H8	H9	H10	H11	H12	H13	H14	H15
C1		1.5590	1.5590	2.3472	2.3472	2.3472	2.3472	1.1029	1.1029	2.2893	2.2893	3.3553	3.3553	3.3553	3.3553
C2	1.5590		2.2512	1.5407	2.3291	1.5407	2.3291	2.2333	2.2333	1.0995	3.3128	2.3463	3.4024	2.3463	3.4024
C3	1.5590	2.2512		2.3291	1.5407	2.3291	1.5407	2.2333	2.2333	3.3128	1.0995	3.4024	2.3463	3.4024	2.3463
C4	2.3472	1.5407	2.3291		1.3552	2.4835	2.8292	3.3640	2.6060	2.2512	3.3087	1.0930	2.2022	3.2876	3.8031
C5	2.3472	2.3291	1.5407	1.3552		2.8292	2.4835	3.3640	2.6060	3.3087	2.2512	2.2022	1.0930	3.8031	3.2876
C6	2.3472	1.5407	2.3291	2.4835	2.8292		1.3552	2.6060	3.3640	2.2512	3.3087	3.2876	3.8031	1.0930	2.2022
C7	2.3472	2.3291	1.5407	2.8292	2.4835	1.3552		2.6060	3.3640	3.3087	2.2512	3.8031	3.2876	2.2022	1.0930
H8	1.1029	2.2333	2.2333	3.3640	3.3640	2.6060	2.6060		1.8223	2.7142	2.7142	4.3551	4.3551	3.4514	3.4514
H9	1.1029	2.2333	2.2333	2.6060	2.6060	3.3640	3.3640	1.8223		2.7142	2.7142	3.4514	3.4514	4.3551	4.3551
H10	2.2893	1.0995	3.3128	2.2512	3.3087	2.2512	3.3087	2.7142	2.7142		4.3381	2.6749	4.3422	2.6749	4.3422
H11	2.2893	3.3128	1.0995	3.3087	2.2512	3.3087	2.2512	2.7142	2.7142	4.3381		4.3422	2.6749	4.3422	2.6749
H12	3.3553	2.3463	3.4024	1.0930	2.2022	3.2876	3.8031	4.3551	3.4514	2.6749	4.3422		2.6969	3.8712	4.7180
H13	3.3553	3.4024	2.3463	2.2022	1.0930	3.8031	3.2876	4.3551	3.4514	4.3422	2.6749	2.6969		4.7180	3.8712
H14	3.3553	2.3463	3.4024	3.2876	3.8031	1.0930	2.2022	3.4514	4.3551	2.6749	4.3422	3.8712	4.7180		2.6969
H15	3.3553	3.4024	2.3463	3.8031	3.2876	2.2022	1.0930	3.4514	4.3551	4.3422	2.6749	4.7180	3.8712	2.6969

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	98.444	C1	C2	C6	98.444
C1	C2	H10	117.846	C1	C3	C5	98.444
C1	C3	C7	98.444	C1	C3	H11	117.846
C2	C1	C3	92.437	C2	C1	H8	112.946
C2	C1	H9	112.946	C2	C4	C5	106.904
C2	C4	H12	125.112	C2	C6	C7	106.904
C2	C6	H14	125.112	C3	C1	H8	112.946
C3	C1	H9	112.946	C3	C5	C4	106.904
C3	C5	H13	125.112	C3	C7	C6	106.904
C3	C7	H15	125.112	C4	C2	C6	107.409
C4	C2	H10	116.006	C4	C5	H13	127.864
C5	C3	C7	107.409	C5	C3	H11	116.006
C5	C4	H12	127.864	C6	C2	H10	116.006
C6	C7	H15	127.864	C7	C3	H11	116.006
C7	C6	H14	127.864	H8	C1	H9	111.408

All results from a given calculation for C₇H₈ (Norbornadiene)

using model chemistry: MP2/cc-pVDZ

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/cc-pVDZ

States and conformations

All results from a given calculation for C₇H₈ (Norbornadiene)