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	hartrees
Energy at 0K	-270.944685
Energy at 298.15K	-270.954969
Nuclear repulsion energy	288.699892

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3401	3401	11.22
2	A₁	3277	3277	18.13
3	A₁	3220	3220	55.50
4	A₁	1819	1819	0.20
5	A₁	1642	1642	0.00
6	A₁	1387	1387	1.17
7	A₁	1226	1226	0.14
8	A₁	1011	1011	7.70
9	A₁	965	965	12.86
10	A₁	843	843	0.90
11	A₁	829	829	48.81
12	A₁	460	460	5.06
13	A₂	3370	3370	0.00
14	A₂	1440	1440	0.00
15	A₂	1382	1382	0.00
16	A₂	1230	1230	0.00
17	A₂	1042	1042	0.00
18	A₂	981	981	0.00
19	A₂	773	773	0.00
20	A₂	484	484	0.00
21	B₁	3398	3398	31.85
22	B₁	3274	3274	51.57
23	B₁	1777	1777	5.12
24	B₁	1372	1372	0.01
25	B₁	1183	1183	0.35
26	B₁	1130	1130	0.65
27	B₁	985	985	4.14
28	B₁	756	756	29.92
29	B₁	554	554	4.60
30	B₂	3371	3371	21.35
31	B₂	3273	3273	88.15
32	B₂	1471	1471	24.84
33	B₂	1395	1395	0.00
34	B₂	1307	1307	0.52
35	B₂	1068	1068	4.26
36	B₂	1021	1021	1.48
37	B₂	962	962	0.09
38	B₂	868	868	8.64
39	B₂	598	598	2.12

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	1.350
C2	0.000	1.115	0.271
C3	0.000	-1.115	0.271
C4	1.242	0.661	-0.520
C5	1.242	-0.661	-0.520
C6	-1.242	0.661	-0.520
C7	-1.242	-0.661	-0.520
H8	-0.892	0.000	1.971
H9	0.892	0.000	1.971
H10	0.000	2.146	0.608
H11	0.000	-2.146	0.608
H12	1.935	1.323	-1.009
H13	1.935	-1.323	-1.009
H14	-1.935	1.323	-1.009
H15	-1.935	-1.323	-1.009

	C1	C2	C3	C4	C5	C6	C7	H8	H9	H10	H11	H12	H13	H14	H15
C1		1.5517	1.5517	2.3399	2.3399	2.3399	2.3399	1.0867	1.0867	2.2703	2.2703	3.3256	3.3256	3.3256	3.3256
C2	1.5517		2.2307	1.5412	2.3071	1.5412	2.3071	2.2199	2.2199	1.0843	3.2786	2.3293	3.3660	2.3293	3.3660
C3	1.5517	2.2307		2.3071	1.5412	2.3071	1.5412	2.2199	2.2199	3.2786	1.0843	3.3660	2.3293	3.3660	2.3293
C4	2.3399	1.5412	2.3071		1.3212	2.4845	2.8139	3.3456	2.6003	2.2409	3.2699	1.0763	2.1576	3.2820	3.7774
C5	2.3399	2.3071	1.5412	1.3212		2.8139	2.4845	3.3456	2.6003	3.2699	2.2409	2.1576	1.0763	3.7774	3.2820
C6	2.3399	1.5412	2.3071	2.4845	2.8139		1.3212	2.6003	3.3456	2.2409	3.2699	3.2820	3.7774	1.0763	2.1576
C7	2.3399	2.3071	1.5412	2.8139	2.4845	1.3212		2.6003	3.3456	3.2699	2.2409	3.7774	3.2820	2.1576	1.0763
H8	1.0867	2.2199	2.2199	3.3456	3.3456	2.6003	2.6003		1.7838	2.6937	2.6937	4.3152	4.3152	3.4233	3.4233
H9	1.0867	2.2199	2.2199	2.6003	2.6003	3.3456	3.3456	1.7838		2.6937	2.6937	3.4233	3.4233	4.3152	4.3152
H10	2.2703	1.0843	3.2786	2.2409	3.2699	2.2409	3.2699	2.6937	2.6937		4.2916	2.6526	4.2890	2.6526	4.2890
H11	2.2703	3.2786	1.0843	3.2699	2.2409	3.2699	2.2409	2.6937	2.6937	4.2916		4.2890	2.6526	4.2890	2.6526
H12	3.3256	2.3293	3.3660	1.0763	2.1576	3.2820	3.7774	4.3152	3.4233	2.6526	4.2890		2.6467	3.8694	4.6880
H13	3.3256	3.3660	2.3293	2.1576	1.0763	3.7774	3.2820	4.3152	3.4233	4.2890	2.6526	2.6467		4.6880	3.8694
H14	3.3256	2.3293	3.3660	3.2820	3.7774	1.0763	2.1576	3.4233	4.3152	2.6526	4.2890	3.8694	4.6880		2.6467
H15	3.3256	3.3660	2.3293	3.7774	3.2820	2.1576	1.0763	3.4233	4.3152	4.2890	2.6526	4.6880	3.8694	2.6467

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	98.317	C1	C2	C6	98.317
C1	C2	H10	117.829	C1	C3	C5	98.317
C1	C3	C7	98.317	C1	C3	H11	117.829
C2	C1	C3	91.910	C2	C1	H8	113.402
C2	C1	H9	113.402	C2	C4	C5	107.161
C2	C4	H12	124.770	C2	C6	C7	107.161
C2	C6	H14	124.770	C3	C1	H8	113.402
C3	C1	H9	113.402	C3	C5	C4	107.161
C3	C5	H13	124.770	C3	C7	C6	107.161
C3	C7	H15	124.770	C4	C2	C6	107.415
C4	C2	H10	116.107	C4	C5	H13	128.008
C5	C3	C7	107.415	C5	C3	H11	116.107
C5	C4	H12	128.008	C6	C2	H10	116.107
C6	C7	H15	128.008	C7	C3	H11	116.107
C7	C6	H14	128.008	H8	C1	H9	110.320

All results from a given calculation for C₇H₈ (Norbornadiene)

using model chemistry: CBS-Q

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: CBS-Q

States and conformations

All results from a given calculation for C₇H₈ (Norbornadiene)