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	hartrees
Energy at 0K	-271.255098
Energy at 298.15K	-271.265408
Nuclear repulsion energy	289.081124

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3416	3219	11.07
2	A₁	3292	3102	17.70
3	A₁	3236	3049	55.24
4	A₁	1821	1716	0.23
5	A₁	1654	1558	0.04
6	A₁	1396	1315	0.94
7	A₁	1235	1163	0.13
8	A₁	1015	957	8.57
9	A₁	968	912	14.02
10	A₁	846	797	4.03
11	A₁	836	787	49.42
12	A₁	463	436	5.13
13	A₂	3386	3190	0.00
14	A₂	1449	1366	0.00
15	A₂	1396	1316	0.00
16	A₂	1237	1166	0.00
17	A₂	1054	994	0.00
18	A₂	986	929	0.00
19	A₂	775	730	0.00
20	A₂	486	458	0.00
21	B₁	3413	3216	32.01
22	B₁	3287	3097	52.10
23	B₁	1779	1676	5.21
24	B₁	1381	1301	0.01
25	B₁	1193	1124	0.31
26	B₁	1139	1073	0.65
27	B₁	988	931	4.17
28	B₁	763	719	32.12
29	B₁	557	525	4.59
30	B₂	3388	3192	21.10
31	B₂	3289	3098	86.60
32	B₂	1483	1397	23.66
33	B₂	1409	1328	0.01
34	B₂	1315	1239	0.40
35	B₂	1081	1019	4.74
36	B₂	1028	969	1.27
37	B₂	965	909	0.05
38	B₂	871	821	8.29
39	B₂	600	565	1.98

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	1.345
C2	0.000	1.118	0.272
C3	0.000	-1.118	0.272
C4	1.234	0.672	-0.517
C5	1.234	-0.672	-0.517
C6	-1.234	0.672	-0.517
C7	-1.234	-0.672	-0.517
H8	-0.901	0.000	1.966
H9	0.901	0.000	1.966
H10	0.000	2.155	0.616
H11	0.000	-2.155	0.616
H12	1.923	1.340	-1.022
H13	1.923	-1.340	-1.022
H14	-1.923	1.340	-1.022
H15	-1.923	-1.340	-1.022

	C1	C2	C3	C4	C5	C6	C7	H8	H9	H10	H11	H12	H13	H14	H15
C1		1.5495	1.5495	2.3327	2.3327	2.3327	2.3327	1.0945	1.0945	2.2747	2.2747	3.3309	3.3309	3.3309	3.3309
C2	1.5495		2.2360	1.5312	2.3125	1.5312	2.3125	2.2209	2.2209	1.0923	3.2907	2.3282	3.3783	2.3282	3.3783
C3	1.5495	2.2360		2.3125	1.5312	2.3125	1.5312	2.2209	2.2209	3.2907	1.0923	3.3783	2.3282	3.3783	2.3282
C4	2.3327	1.5312	2.3125		1.3431	2.4676	2.8095	3.3432	2.5943	2.2375	3.2855	1.0845	2.1854	3.2656	3.7768
C5	2.3327	2.3125	1.5312	1.3431		2.8095	2.4676	3.3432	2.5943	3.2855	2.2375	2.1854	1.0845	3.7768	3.2656
C6	2.3327	1.5312	2.3125	2.4676	2.8095		1.3431	2.5943	3.3432	2.2375	3.2855	3.2656	3.7768	1.0845	2.1854
C7	2.3327	2.3125	1.5312	2.8095	2.4676	1.3431		2.5943	3.3432	3.2855	2.2375	3.7768	3.2656	2.1854	1.0845
H8	1.0945	2.2209	2.2209	3.3432	3.3432	2.5943	2.5943		1.8021	2.6978	2.6978	4.3243	4.3243	3.4308	3.4308
H9	1.0945	2.2209	2.2209	2.5943	2.5943	3.3432	3.3432	1.8021		2.6978	2.6978	3.4308	3.4308	4.3243	4.3243
H10	2.2747	1.0923	3.2907	2.2375	3.2855	2.2375	3.2855	2.6978	2.6978		4.3094	2.6539	4.3120	2.6539	4.3120
H11	2.2747	3.2907	1.0923	3.2855	2.2375	3.2855	2.2375	2.6978	2.6978	4.3094		4.3120	2.6539	4.3120	2.6539
H12	3.3309	2.3282	3.3783	1.0845	2.1854	3.2656	3.7768	4.3243	3.4308	2.6539	4.3120		2.6802	3.8450	4.6870
H13	3.3309	3.3783	2.3282	2.1854	1.0845	3.7768	3.2656	4.3243	3.4308	4.3120	2.6539	2.6802		4.6870	3.8450
H14	3.3309	2.3282	3.3783	3.2656	3.7768	1.0845	2.1854	3.4308	4.3243	2.6539	4.3120	3.8450	4.6870		2.6802
H15	3.3309	3.3783	2.3282	3.7768	3.2656	2.1854	1.0845	3.4308	4.3243	4.3120	2.6539	4.6870	3.8450	2.6802

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	98.312	C1	C2	C6	98.312
C1	C2	H10	117.866	C1	C3	C5	98.312
C1	C3	C7	98.312	C1	C3	H11	117.866
C2	C1	C3	91.873	C2	C1	H8	113.424
C2	C1	H9	113.424	C2	C4	C5	107.171
C2	C4	H12	124.752	C2	C6	C7	107.171
C2	C6	H14	124.752	C3	C1	H8	113.424
C3	C1	H9	113.424	C3	C5	C4	107.171
C3	C5	H13	124.752	C3	C7	C6	107.171
C3	C7	H15	124.752	C4	C2	C6	107.431
C4	C2	H10	116.088	C4	C5	H13	128.019
C5	C3	C7	107.431	C5	C3	H11	116.088
C5	C4	H12	128.019	C6	C2	H10	116.088
C6	C7	H15	128.019	C7	C3	H11	116.088
C7	C6	H14	128.019	H8	C1	H9	110.274

All results from a given calculation for C₇H₈ (Norbornadiene)

using model chemistry: G3

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: G3

States and conformations

All results from a given calculation for C₇H₈ (Norbornadiene)