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	hartrees
Energy at 0K	-270.481931
Energy at 298.15K	-270.491580
Nuclear repulsion energy	289.220649

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3348	3111	9.53
2	A₁	3239	3009	12.21
3	A₁	3180	2954	44.02
4	A₁	1749	1625	0.06
5	A₁	1596	1483	1.26
6	A₁	1337	1242	4.21
7	A₁	1189	1104	0.31
8	A₁	999	928	4.75
9	A₁	951	884	12.47
10	A₁	828	769	0.64
11	A₁	796	740	65.54
12	A₁	447	415	7.33
13	A₂	3318	3083	0.00
14	A₂	1390	1292	0.00
15	A₂	1337	1243	0.00
16	A₂	1199	1114	0.00
17	A₂	984	915	0.00
18	A₂	968	899	0.00
19	A₂	753	700	0.00
20	A₂	473	440	0.00
21	B₁	3345	3108	22.98
22	B₁	3241	3011	39.28
23	B₁	1707	1586	5.01
24	B₁	1322	1228	0.93
25	B₁	1142	1061	1.23
26	B₁	1095	1017	0.84
27	B₁	975	906	2.81
28	B₁	722	671	40.27
29	B₁	539	501	7.10
30	B₂	3320	3085	15.12
31	B₂	3235	3006	69.24
32	B₂	1422	1321	29.09
33	B₂	1351	1255	0.00
34	B₂	1259	1170	0.44
35	B₂	1027	954	1.01
36	B₂	988	918	3.28
37	B₂	941	874	1.31
38	B₂	857	796	9.22
39	B₂	581	540	1.50

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	1.346
C2	0.000	1.115	0.274
C3	0.000	-1.115	0.274
C4	1.235	0.663	-0.519
C5	1.235	-0.663	-0.519
C6	-1.235	0.663	-0.519
C7	-1.235	-0.663	-0.519
H8	-0.893	0.000	1.965
H9	0.893	0.000	1.965
H10	0.000	2.144	0.613
H11	0.000	-2.144	0.613
H12	1.922	1.325	-1.017
H13	1.922	-1.325	-1.017
H14	-1.922	1.325	-1.017
H15	-1.922	-1.325	-1.017

	C1	C2	C3	C4	C5	C6	C7	H8	H9	H10	H11	H12	H13	H14	H15
C1		1.5471	1.5471	2.3332	2.3332	2.3332	2.3332	1.0865	1.0865	2.2659	2.2659	3.3227	3.3227	3.3227	3.3227
C2	1.5471		2.2293	1.5353	2.3050	1.5353	2.3050	2.2138	2.2138	1.0841	3.2764	2.3253	3.3639	2.3253	3.3639
C3	1.5471	2.2293		2.3050	1.5353	2.3050	1.5353	2.2138	2.2138	3.2764	1.0841	3.3639	2.3253	3.3639	2.3253
C4	2.3332	1.5353	2.3050		1.3260	2.4703	2.8037	3.3373	2.5930	2.2362	3.2691	1.0770	2.1621	3.2646	3.7646
C5	2.3332	2.3050	1.5353	1.3260		2.8037	2.4703	3.3373	2.5930	3.2691	2.2362	2.1621	1.0770	3.7646	3.2646
C6	2.3332	1.5353	2.3050	2.4703	2.8037		1.3260	2.5930	3.3373	2.2362	3.2691	3.2646	3.7646	1.0770	2.1621
C7	2.3332	2.3050	1.5353	2.8037	2.4703	1.3260		2.5930	3.3373	3.2691	2.2362	3.7646	3.2646	2.1621	1.0770
H8	1.0865	2.2138	2.2138	3.3373	3.3373	2.5930	2.5930		1.7867	2.6873	2.6873	4.3103	4.3103	3.4219	3.4219
H9	1.0865	2.2138	2.2138	2.5930	2.5930	3.3373	3.3373	1.7867		2.6873	2.6873	3.4219	3.4219	4.3103	4.3103
H10	2.2659	1.0841	3.2764	2.2362	3.2691	2.2362	3.2691	2.6873	2.6873		4.2882	2.6507	4.2886	2.6507	4.2886
H11	2.2659	3.2764	1.0841	3.2691	2.2362	3.2691	2.2362	2.6873	2.6873	4.2882		4.2886	2.6507	4.2886	2.6507
H12	3.3227	2.3253	3.3639	1.0770	2.1621	3.2646	3.7646	4.3103	3.4219	2.6507	4.2886		2.6506	3.8449	4.6700
H13	3.3227	3.3639	2.3253	2.1621	1.0770	3.7646	3.2646	4.3103	3.4219	4.2886	2.6507	2.6506		4.6700	3.8449
H14	3.3227	2.3253	3.3639	3.2646	3.7646	1.0770	2.1621	3.4219	4.3103	2.6507	4.2886	3.8449	4.6700		2.6506
H15	3.3227	3.3639	2.3253	3.7646	3.2646	2.1621	1.0770	3.4219	4.3103	4.2886	2.6507	4.6700	3.8449	2.6506

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	98.389	C1	C2	C6	98.389
C1	C2	H10	117.822	C1	C3	C5	98.389
C1	C3	C7	98.389	C1	C3	H11	117.822
C2	C1	C3	92.185	C2	C1	H8	113.247
C2	C1	H9	113.247	C2	C4	C5	107.107
C2	C4	H12	124.858	C2	C6	C7	107.107
C2	C6	H14	124.858	C3	C1	H8	113.247
C3	C1	H9	113.247	C3	C5	C4	107.107
C3	C5	H13	124.858	C3	C7	C6	107.107
C3	C7	H15	124.858	C4	C2	C6	107.125
C4	C2	H10	116.174	C4	C5	H13	127.948
C5	C3	C7	107.125	C5	C3	H11	116.174
C5	C4	H12	127.948	C6	C2	H10	116.174
C6	C7	H15	127.948	C7	C3	H11	116.174
C7	C6	H14	127.948	H8	C1	H9	110.620

All results from a given calculation for C₇H₈ (Norbornadiene)

using model chemistry: CID/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: CID/6-311G*

States and conformations

All results from a given calculation for C₇H₈ (Norbornadiene)