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	hartrees
Energy at 0K	-270.715275
Energy at 298.15K	-270.724549
Nuclear repulsion energy	285.218069

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3238	3170
2	A₁	3133	3067
3	A₁	3063	2998
4	A₁	1620	1585
5	A₁	1481	1450
6	A₁	1258	1232
7	A₁	1115	1092
8	A₁	945	925
9	A₁	898	879
10	A₁	785	768
11	A₁	731	715
12	A₁	422	413
13	A₂	3210	3142
14	A₂	1306	1278
15	A₂	1251	1225
16	A₂	1126	1102
17	A₂	921	901
18	A₂	875	857
19	A₂	709	694
20	A₂	438	429
21	B₁	3236	3167
22	B₁	3131	3065
23	B₁	1583	1550
24	B₁	1238	1212
25	B₁	1070	1047
26	B₁	1025	1004
27	B₁	927	908
28	B₁	657	643
29	B₁	504	493
30	B₂	3211	3143
31	B₂	3130	3063
32	B₂	1338	1310
33	B₂	1264	1238
34	B₂	1182	1157
35	B₂	962	942
36	B₂	903	884
37	B₂	877	859
38	B₂	811	793
39	B₂	544	533

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	1.360
C2	0.000	1.130	0.278
C3	0.000	-1.130	0.278
C4	1.248	0.679	-0.524
C5	1.248	-0.679	-0.524
C6	-1.248	0.679	-0.524
C7	-1.248	-0.679	-0.524
H8	-0.912	0.000	1.985
H9	0.912	0.000	1.985
H10	0.000	2.176	0.626
H11	0.000	-2.176	0.626
H12	1.944	1.352	-1.037
H13	1.944	-1.352	-1.037
H14	-1.944	1.352	-1.037
H15	-1.944	-1.352	-1.037

	C1	C2	C3	C4	C5	C6	C7	H8	H9	H10	H11	H12	H13	H14	H15
C1		1.5650	1.5650	2.3596	2.3596	2.3596	2.3596	1.1057	1.1057	2.2965	2.2965	3.3693	3.3693	3.3693	3.3693
C2	1.5650		2.2609	1.5507	2.3398	1.5507	2.3398	2.2418	2.2418	1.1022	3.3249	2.3574	3.4161	2.3574	3.4161
C3	1.5650	2.2609		2.3398	1.5507	2.3398	1.5507	2.2418	2.2418	3.3249	1.1022	3.4161	2.3574	3.4161	2.3574
C4	2.3596	1.5507	2.3398		1.3578	2.4970	2.8423	3.3798	2.6208	2.2632	3.3214	1.0956	2.2071	3.3032	3.8186
C5	2.3596	2.3398	1.5507	1.3578		2.8423	2.4970	3.3798	2.6208	3.3214	2.2632	2.2071	1.0956	3.8186	3.3032
C6	2.3596	1.5507	2.3398	2.4970	2.8423		1.3578	2.6208	3.3798	2.2632	3.3214	3.3032	3.8186	1.0956	2.2071
C7	2.3596	2.3398	1.5507	2.8423	2.4970	1.3578		2.6208	3.3798	3.3214	2.2632	3.8186	3.3032	2.2071	1.0956
H8	1.1057	2.2418	2.2418	3.3798	3.3798	2.6208	2.6208		1.8240	2.7230	2.7230	4.3725	4.3725	3.4677	3.4677
H9	1.1057	2.2418	2.2418	2.6208	2.6208	3.3798	3.3798	1.8240		2.7230	2.7230	3.4677	3.4677	4.3725	4.3725
H10	2.2965	1.1022	3.3249	2.2632	3.3214	2.2632	3.3214	2.7230	2.7230		4.3522	2.6880	4.3579	2.6880	4.3579
H11	2.2965	3.3249	1.1022	3.3214	2.2632	3.3214	2.2632	2.7230	2.7230	4.3522		4.3579	2.6880	4.3579	2.6880
H12	3.3693	2.3574	3.4161	1.0956	2.2071	3.3032	3.8186	4.3725	3.4677	2.6880	4.3579		2.7036	3.8889	4.7364
H13	3.3693	3.4161	2.3574	2.2071	1.0956	3.8186	3.3032	4.3725	3.4677	4.3579	2.6880	2.7036		4.7364	3.8889
H14	3.3693	2.3574	3.4161	3.3032	3.8186	1.0956	2.2071	3.4677	4.3725	2.6880	4.3579	3.8889	4.7364		2.7036
H15	3.3693	3.4161	2.3574	3.8186	3.3032	2.2071	1.0956	3.4677	4.3725	4.3579	2.6880	4.7364	3.8889	2.7036

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	98.454	C1	C2	C6	98.454
C1	C2	H10	117.818	C1	C3	C5	98.454
C1	C3	C7	98.454	C1	C3	H11	117.818
C2	C1	C3	92.492	C2	C1	H8	113.021
C2	C1	H9	113.021	C2	C4	C5	106.929
C2	C4	H12	125.070	C2	C6	C7	106.929
C2	C6	H14	125.070	C3	C1	H8	113.021
C3	C1	H9	113.021	C3	C5	C4	106.929
C3	C5	H13	125.070	C3	C7	C6	106.929
C3	C7	H15	125.070	C4	C2	C6	107.242
C4	C2	H10	116.078	C4	C5	H13	127.890
C5	C3	C7	107.242	C5	C3	H11	116.078
C5	C4	H12	127.890	C6	C2	H10	116.078
C6	C7	H15	127.890	C7	C3	H11	116.078
C7	C6	H14	127.890	H8	C1	H9	111.128

All results from a given calculation for C₇H₈ (Norbornadiene)

using model chemistry: CCSD(T)/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: CCSD(T)/cc-pVDZ

States and conformations

All results from a given calculation for C₇H₈ (Norbornadiene)