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	hartrees
Energy at 0K	-270.606313
Energy at 298.15K	-270.615701
Nuclear repulsion energy	287.392700

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3256	3100	8.48
2	A₁	3144	2994	10.17
3	A₁	3087	2940	37.93
4	A₁	1676	1596	0.07
5	A₁	1547	1473	0.30
6	A₁	1294	1233	2.50
7	A₁	1157	1102	0.17
8	A₁	972	926	2.75
9	A₁	922	878	6.97
10	A₁	807	768	0.49
11	A₁	750	714	51.03
12	A₁	434	413	5.12
13	A₂	3228	3074	0.00
14	A₂	1346	1282	0.00
15	A₂	1298	1236	0.00
16	A₂	1161	1106	0.00
17	A₂	948	903	0.00
18	A₂	897	855	0.00
19	A₂	728	693	0.00
20	A₂	452	431	0.00
21	B₁	3253	3098	23.93
22	B₁	3145	2995	35.17
23	B₁	1640	1562	3.01
24	B₁	1283	1222	0.58
25	B₁	1113	1060	0.45
26	B₁	1065	1014	0.56
27	B₁	947	902	1.63
28	B₁	682	650	31.08
29	B₁	518	494	6.07
30	B₂	3230	3076	12.82
31	B₂	3141	2991	56.58
32	B₂	1377	1312	20.84
33	B₂	1308	1245	0.00
34	B₂	1215	1157	0.54
35	B₂	991	944	0.02
36	B₂	924	880	0.39
37	B₂	898	855	3.59
38	B₂	833	793	7.37
39	B₂	560	533	1.37

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	1.351
C2	0.000	1.121	0.275
C3	0.000	-1.121	0.275
C4	1.240	0.671	-0.521
C5	1.240	-0.671	-0.521
C6	-1.240	0.671	-0.521
C7	-1.240	-0.671	-0.521
H8	-0.901	0.000	1.976
H9	0.901	0.000	1.976
H10	0.000	2.160	0.620
H11	0.000	-2.160	0.620
H12	1.931	1.342	-1.025
H13	1.931	-1.342	-1.025
H14	-1.931	1.342	-1.025
H15	-1.931	-1.342	-1.025

	C1	C2	C3	C4	C5	C6	C7	H8	H9	H10	H11	H12	H13	H14	H15
C1		1.5544	1.5544	2.3436	2.3436	2.3436	2.3436	1.0969	1.0969	2.2807	2.2807	3.3428	3.3428	3.3428	3.3428
C2	1.5544		2.2429	1.5409	2.3205	1.5409	2.3205	2.2283	2.2283	1.0945	3.2998	2.3381	3.3889	2.3381	3.3889
C3	1.5544	2.2429		2.3205	1.5409	2.3205	1.5409	2.2283	2.2283	3.2998	1.0945	3.3889	2.3381	3.3889	2.3381
C4	2.3436	1.5409	2.3205		1.3421	2.4810	2.8207	3.3575	2.6077	2.2488	3.2948	1.0866	2.1867	3.2807	3.7900
C5	2.3436	2.3205	1.5409	1.3421		2.8207	2.4810	3.3575	2.6077	3.2948	2.2488	2.1867	1.0866	3.7900	3.2807
C6	2.3436	1.5409	2.3205	2.4810	2.8207		1.3421	2.6077	3.3575	2.2488	3.2948	3.2807	3.7900	1.0866	2.1867
C7	2.3436	2.3205	1.5409	2.8207	2.4810	1.3421		2.6077	3.3575	3.2948	2.2488	3.7900	3.2807	2.1867	1.0866
H8	1.0969	2.2283	2.2283	3.3575	3.3575	2.6077	2.6077		1.8026	2.7054	2.7054	4.3393	4.3393	3.4449	3.4449
H9	1.0969	2.2283	2.2283	2.6077	2.6077	3.3575	3.3575	1.8026		2.7054	2.7054	3.4449	3.4449	4.3393	4.3393
H10	2.2807	1.0945	3.2998	2.2488	3.2948	2.2488	3.2948	2.7054	2.7054		4.3204	2.6654	4.3239	2.6654	4.3239
H11	2.2807	3.2998	1.0945	3.2948	2.2488	3.2948	2.2488	2.7054	2.7054	4.3204		4.3239	2.6654	4.3239	2.6654
H12	3.3428	2.3381	3.3889	1.0866	2.1867	3.2807	3.7900	4.3393	3.4449	2.6654	4.3239		2.6830	3.8623	4.7027
H13	3.3428	3.3889	2.3381	2.1867	1.0866	3.7900	3.2807	4.3393	3.4449	4.3239	2.6654	2.6830		4.7027	3.8623
H14	3.3428	2.3381	3.3889	3.2807	3.7900	1.0866	2.1867	3.4449	4.3393	2.6654	4.3239	3.8623	4.7027		2.6830
H15	3.3428	3.3889	2.3381	3.7900	3.2807	2.1867	1.0866	3.4449	4.3393	4.3239	2.6654	4.7027	3.8623	2.6830

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	98.427	C1	C2	C6	98.427
C1	C2	H10	117.808	C1	C3	C5	98.427
C1	C3	C7	98.427	C1	C3	H11	117.808
C2	C1	C3	92.356	C2	C1	H8	113.245
C2	C1	H9	113.245	C2	C4	C5	106.996
C2	C4	H12	124.808	C2	C6	C7	106.996
C2	C6	H14	124.808	C3	C1	H8	113.245
C3	C1	H9	113.245	C3	C5	C4	106.996
C3	C5	H13	124.808	C3	C7	C6	106.996
C3	C7	H15	124.808	C4	C2	C6	107.225
C4	C2	H10	116.111	C4	C5	H13	128.099
C5	C3	C7	107.225	C5	C3	H11	116.111
C5	C4	H12	128.099	C6	C2	H10	116.111
C6	C7	H15	128.099	C7	C3	H11	116.111
C7	C6	H14	128.099	H8	C1	H9	110.503

All results from a given calculation for C₇H₈ (Norbornadiene)

using model chemistry: QCISD/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: QCISD/6-31G*

States and conformations

All results from a given calculation for C₇H₈ (Norbornadiene)