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	hartrees
Energy at 0K	-266.826704
Energy at 298.15K	-266.835891
Nuclear repulsion energy	283.483295

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3558	3163	0.02
2	A₁	3483	3096	0.94
3	A₁	3404	3026	3.31
4	A₁	1728	1536	0.09
5	A₁	1694	1506	1.36
6	A₁	1413	1256	0.91
7	A₁	1214	1079	0.02
8	A₁	1030	915	1.17
9	A₁	1007	896	0.09
10	A₁	847	753	0.39
11	A₁	802	713	18.87
12	A₁	454	404	0.39
13	A₂	3526	3134	0.00
14	A₂	1469	1306	0.00
15	A₂	1382	1228	0.00
16	A₂	1240	1103	0.00
17	A₂	1029	915	0.00
18	A₂	990	880	0.00
19	A₂	762	677	0.00
20	A₂	474	421	0.00
21	B₁	3556	3161	0.00
22	B₁	3536	3143	6.17
23	B₁	1690	1503	1.56
24	B₁	1376	1223	2.39
25	B₁	1172	1042	0.58
26	B₁	1127	1002	0.45
27	B₁	1022	909	0.01
28	B₁	737	655	11.53
29	B₁	517	459	1.75
30	B₂	3526	3134	8.45
31	B₂	3480	3093	4.99
32	B₂	1496	1330	3.43
33	B₂	1406	1250	0.02
34	B₂	1341	1192	0.02
35	B₂	1082	961	0.19
36	B₂	998	887	1.39
37	B₂	981	872	0.01
38	B₂	896	796	0.43
39	B₂	594	528	0.57

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	1.376
C2	0.000	1.138	0.282
C3	0.000	-1.138	0.282
C4	1.256	0.678	-0.532
C5	1.256	-0.678	-0.532
C6	-1.256	0.678	-0.532
C7	-1.256	-0.678	-0.532
H8	-0.907	0.000	2.009
H9	0.907	0.000	2.009
H10	0.000	2.190	0.625
H11	0.000	-2.190	0.625
H12	1.954	1.359	-1.036
H13	1.954	-1.359	-1.036
H14	-1.954	1.359	-1.036
H15	-1.954	-1.359	-1.036

	C1	C2	C3	C4	C5	C6	C7	H8	H9	H10	H11	H12	H13	H14	H15
C1		1.5788	1.5788	2.3821	2.3821	2.3821	2.3821	1.1064	1.1064	2.3149	2.3149	3.3884	3.3884	3.3884	3.3884
C2	1.5788		2.2770	1.5658	2.3532	1.5658	2.3532	2.2588	2.2588	1.1058	3.3459	2.3673	3.4339	2.3673	3.4339
C3	1.5788	2.2770		2.3532	1.5658	2.3532	1.5658	2.2588	2.2588	3.3459	1.1058	3.4339	2.3673	3.4339	2.3673
C4	2.3821	1.5658	2.3532		1.3552	2.5122	2.8544	3.4049	2.6523	2.2807	3.3372	1.0981	2.2110	3.3204	3.8351
C5	2.3821	2.3532	1.5658	1.3552		2.8544	2.5122	3.4049	2.6523	3.3372	2.2807	2.2110	1.0981	3.8351	3.3204
C6	2.3821	1.5658	2.3532	2.5122	2.8544		1.3552	2.6523	3.4049	2.2807	3.3372	3.3204	3.8351	1.0981	2.2110
C7	2.3821	2.3532	1.5658	2.8544	2.5122	1.3552		2.6523	3.4049	3.3372	2.2807	3.8351	3.3204	2.2110	1.0981
H8	1.1064	2.2588	2.2588	3.4049	3.4049	2.6523	2.6523		1.8147	2.7448	2.7448	4.3938	4.3938	3.4947	3.4947
H9	1.1064	2.2588	2.2588	2.6523	2.6523	3.4049	3.4049	1.8147		2.7448	2.7448	3.4947	3.4947	4.3938	4.3938
H10	2.3149	1.1058	3.3459	2.2807	3.3372	2.2807	3.3372	2.7448	2.7448		4.3796	2.6959	4.3782	2.6959	4.3782
H11	2.3149	3.3459	1.1058	3.3372	2.2807	3.3372	2.2807	2.7448	2.7448	4.3796		4.3782	2.6959	4.3782	2.6959
H12	3.3884	2.3673	3.4339	1.0981	2.2110	3.3204	3.8351	4.3938	3.4947	2.6959	4.3782		2.7174	3.9087	4.7605
H13	3.3884	3.4339	2.3673	2.2110	1.0981	3.8351	3.3204	4.3938	3.4947	4.3782	2.6959	2.7174		4.7605	3.9087
H14	3.3884	2.3673	3.4339	3.3204	3.8351	1.0981	2.2110	3.4947	4.3938	2.6959	4.3782	3.9087	4.7605		2.7174
H15	3.3884	3.4339	2.3673	3.8351	3.3204	2.2110	1.0981	3.4947	4.3938	4.3782	2.6959	4.7605	3.9087	2.7174

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	98.491	C1	C2	C6	98.491
C1	C2	H10	118.076	C1	C3	C5	98.491
C1	C3	C7	98.491	C1	C3	H11	118.076
C2	C1	C3	92.290	C2	C1	H8	113.360
C2	C1	H9	113.360	C2	C4	C5	107.118
C2	C4	H12	124.479	C2	C6	C7	107.118
C2	C6	H14	124.479	C3	C1	H8	113.360
C3	C1	H9	113.360	C3	C5	C4	107.118
C3	C5	H13	124.479	C3	C7	C6	107.118
C3	C7	H15	124.479	C4	C2	C6	106.681
C4	C2	H10	116.164	C4	C5	H13	128.336
C5	C3	C7	106.681	C5	C3	H11	116.164
C5	C4	H12	128.336	C6	C2	H10	116.164
C6	C7	H15	128.336	C7	C3	H11	116.164
C7	C6	H14	128.336	H8	C1	H9	110.179

All results from a given calculation for C₇H₈ (Norbornadiene)

using model chemistry: MP2=FULL/STO-3G

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=FULL/STO-3G

States and conformations

All results from a given calculation for C₇H₈ (Norbornadiene)