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	hartrees
Energy at 0K	-270.674580
Energy at 298.15K	-270.683956
Nuclear repulsion energy	285.838021

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3258	3126	7.08
2	A₁	3152	3024	9.70
3	A₁	3083	2958	39.52
4	A₁	1658	1590	0.19
5	A₁	1497	1436	0.42
6	A₁	1277	1225	1.78
7	A₁	1130	1084	0.20
8	A₁	956	918	2.53
9	A₁	912	875	6.35
10	A₁	794	762	1.37
11	A₁	749	719	48.32
12	A₁	428	411	4.69
13	A₂	3229	3098	0.00
14	A₂	1325	1271	0.00
15	A₂	1268	1216	0.00
16	A₂	1138	1091	0.00
17	A₂	934	896	0.00
18	A₂	906	869	0.00
19	A₂	718	689	0.00
20	A₂	445	427	0.00
21	B₁	3256	3124	18.23
22	B₁	3149	3021	34.48
23	B₁	1621	1555	4.70
24	B₁	1258	1207	0.39
25	B₁	1084	1040	0.36
26	B₁	1038	996	0.23
27	B₁	941	903	1.90
28	B₁	675	648	28.82
29	B₁	511	490	4.69
30	B₂	3231	3100	9.92
31	B₂	3148	3020	57.44
32	B₂	1355	1300	18.60
33	B₂	1281	1229	0.01
34	B₂	1202	1153	0.42
35	B₂	976	936	0.05
36	B₂	925	887	2.23
37	B₂	897	860	2.14
38	B₂	821	788	6.98
39	B₂	554	531	1.35

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	1.357
C2	0.000	1.127	0.277
C3	0.000	-1.127	0.277
C4	1.247	0.676	-0.523
C5	1.247	-0.676	-0.523
C6	-1.247	0.676	-0.523
C7	-1.247	-0.676	-0.523
H8	-0.910	0.000	1.983
H9	0.910	0.000	1.983
H10	0.000	2.172	0.624
H11	0.000	-2.172	0.624
H12	1.943	1.348	-1.033
H13	1.943	-1.348	-1.033
H14	-1.943	1.348	-1.033
H15	-1.943	-1.348	-1.033

	C1	C2	C3	C4	C5	C6	C7	H8	H9	H10	H11	H12	H13	H14	H15
C1		1.5616	1.5616	2.3552	2.3552	2.3552	2.3552	1.1040	1.1040	2.2922	2.2922	3.3624	3.3624	3.3624	3.3624
C2	1.5616		2.2548	1.5486	2.3335	1.5486	2.3335	2.2382	2.2382	1.1005	3.3173	2.3537	3.4084	2.3537	3.4084
C3	1.5616	2.2548		2.3335	1.5486	2.3335	1.5486	2.2382	2.2382	3.3173	1.1005	3.4084	2.3537	3.4084	2.3537
C4	2.3552	1.5486	2.3335		1.3515	2.4933	2.8360	3.3744	2.6175	2.2600	3.3133	1.0939	2.1999	3.2994	3.8117
C5	2.3552	2.3335	1.5486	1.3515		2.8360	2.4933	3.3744	2.6175	3.3133	2.2600	2.1999	1.0939	3.8117	3.2994
C6	2.3552	1.5486	2.3335	2.4933	2.8360		1.3515	2.6175	3.3744	2.2600	3.3133	3.2994	3.8117	1.0939	2.1999
C7	2.3552	2.3335	1.5486	2.8360	2.4933	1.3515		2.6175	3.3744	3.3133	2.2600	3.8117	3.2994	2.1999	1.0939
H8	1.1040	2.2382	2.2382	3.3744	3.3744	2.6175	2.6175		1.8190	2.7186	2.7186	4.3647	4.3647	3.4614	3.4614
H9	1.1040	2.2382	2.2382	2.6175	2.6175	3.3744	3.3744	1.8190		2.7186	2.7186	3.4614	3.4614	4.3647	4.3647
H10	2.2922	1.1005	3.3173	2.2600	3.3133	2.2600	3.3133	2.7186	2.7186		4.3434	2.6832	4.3483	2.6832	4.3483
H11	2.2922	3.3173	1.1005	3.3133	2.2600	3.3133	2.2600	2.7186	2.7186	4.3434		4.3483	2.6832	4.3483	2.6832
H12	3.3624	2.3537	3.4084	1.0939	2.1999	3.2994	3.8117	4.3647	3.4614	2.6832	4.3483		2.6955	3.8862	4.7295
H13	3.3624	3.4084	2.3537	2.1999	1.0939	3.8117	3.2994	4.3647	3.4614	4.3483	2.6832	2.6955		4.7295	3.8862
H14	3.3624	2.3537	3.4084	3.2994	3.8117	1.0939	2.1999	3.4614	4.3647	2.6832	4.3483	3.8862	4.7295		2.6955
H15	3.3624	3.4084	2.3537	3.8117	3.2994	2.1999	1.0939	3.4614	4.3647	4.3483	2.6832	4.7295	3.8862	2.6955

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	98.447	C1	C2	C6	98.447
C1	C2	H10	117.831	C1	C3	C5	98.447
C1	C3	C7	98.447	C1	C3	H11	117.831
C2	C1	C3	92.432	C2	C1	H8	113.091
C2	C1	H9	113.091	C2	C4	C5	106.957
C2	C4	H12	125.039	C2	C6	C7	106.957
C2	C6	H14	125.039	C3	C1	H8	113.091
C3	C1	H9	113.091	C3	C5	C4	106.957
C3	C5	H13	125.039	C3	C7	C6	106.957
C3	C7	H15	125.039	C4	C2	C6	107.227
C4	C2	H10	116.084	C4	C5	H13	127.904
C5	C3	C7	107.227	C5	C3	H11	116.084
C5	C4	H12	127.904	C6	C2	H10	116.084
C6	C7	H15	127.904	C7	C3	H11	116.084
C7	C6	H14	127.904	H8	C1	H9	110.945

All results from a given calculation for C₇H₈ (Norbornadiene)

using model chemistry: QCISD/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: QCISD/cc-pVDZ

States and conformations

All results from a given calculation for C₇H₈ (Norbornadiene)