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	hartrees
Energy at 0K	-270.553169
Energy at 298.15K	-270.562534
HF Energy	-269.650086
Nuclear repulsion energy	288.129030

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3285	3097	6.16
2	A₁	3176	2995	7.17
3	A₁	3117	2940	33.81
4	A₁	1644	1550	0.03
5	A₁	1547	1459	0.44
6	A₁	1288	1215	4.51
7	A₁	1153	1087	0.27
8	A₁	978	922	2.13
9	A₁	922	869	5.41
10	A₁	803	757	1.05
11	A₁	742	699	54.19
12	A₁	434	409	4.99
13	A₂	3259	3073	0.00
14	A₂	1335	1259	0.00
15	A₂	1298	1224	0.00
16	A₂	1162	1096	0.00
17	A₂	956	902	0.00
18	A₂	883	833	0.00
19	A₂	727	686	0.00
20	A₂	456	430	0.00
21	B₁	3283	3096	17.60
22	B₁	3187	3005	29.57
23	B₁	1606	1515	2.84
24	B₁	1270	1198	1.84
25	B₁	1109	1045	0.53
26	B₁	1063	1002	0.35
27	B₁	948	894	1.32
28	B₁	675	637	33.45
29	B₁	514	485	7.14
30	B₂	3260	3074	7.44
31	B₂	3174	2993	46.23
32	B₂	1374	1296	21.72
33	B₂	1304	1230	0.02
34	B₂	1198	1130	0.68
35	B₂	993	936	0.00
36	B₂	919	867	0.18
37	B₂	885	834	3.35
38	B₂	833	786	7.00
39	B₂	556	524	1.37

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	1.346
C2	0.000	1.116	0.264
C3	0.000	-1.116	0.264
C4	1.244	0.670	-0.516
C5	1.244	-0.670	-0.516
C6	-1.244	0.670	-0.516
C7	-1.244	-0.670	-0.516
H8	-0.902	0.000	1.967
H9	0.902	0.000	1.967
H10	0.000	2.151	0.607
H11	0.000	-2.151	0.607
H12	1.937	1.349	-1.002
H13	1.937	-1.349	-1.002
H14	-1.937	1.349	-1.002
H15	-1.937	-1.349	-1.002

	C1	C2	C3	C4	C5	C6	C7	H8	H9	H10	H11	H12	H13	H14	H15
C1		1.5540	1.5540	2.3380	2.3380	2.3380	2.3380	1.0950	1.0950	2.2747	2.2747	3.3294	3.3294	3.3294	3.3294
C2	1.5540		2.2310	1.5349	2.3120	1.5349	2.3120	2.2265	2.2265	1.0910	3.2847	2.3261	3.3805	2.3261	3.3805
C3	1.5540	2.2310		2.3120	1.5349	2.3120	1.5349	2.2265	2.2265	3.2847	1.0910	3.3805	2.3261	3.3805	2.3261
C4	2.3380	1.5349	2.3120		1.3399	2.4881	2.8260	3.3500	2.5949	2.2370	3.2816	1.0847	2.1887	3.2891	3.7989
C5	2.3380	2.3120	1.5349	1.3399		2.8260	2.4881	3.3500	2.5949	3.2816	2.2370	2.1887	1.0847	3.7989	3.2891
C6	2.3380	1.5349	2.3120	2.4881	2.8260		1.3399	2.5949	3.3500	2.2370	3.2816	3.2891	3.7989	1.0847	2.1887
C7	2.3380	2.3120	1.5349	2.8260	2.4881	1.3399		2.5949	3.3500	3.2816	2.2370	3.7989	3.2891	2.1887	1.0847
H8	1.0950	2.2265	2.2265	3.3500	3.3500	2.5949	2.5949		1.8040	2.7002	2.7002	4.3237	4.3237	3.4211	3.4211
H9	1.0950	2.2265	2.2265	2.5949	2.5949	3.3500	3.3500	1.8040		2.7002	2.7002	3.4211	3.4211	4.3237	4.3237
H10	2.2747	1.0910	3.2847	2.2370	3.2816	2.2370	3.2816	2.7002	2.7002		4.3025	2.6431	4.3116	2.6431	4.3116
H11	2.2747	3.2847	1.0910	3.2816	2.2370	3.2816	2.2370	2.7002	2.7002	4.3025		4.3116	2.6431	4.3116	2.6431
H12	3.3294	2.3261	3.3805	1.0847	2.1887	3.2891	3.7989	4.3237	3.4211	2.6431	4.3116		2.6970	3.8749	4.7211
H13	3.3294	3.3805	2.3261	2.1887	1.0847	3.7989	3.2891	4.3237	3.4211	4.3116	2.6431	2.6970		4.7211	3.8749
H14	3.3294	2.3261	3.3805	3.2891	3.7989	1.0847	2.1887	3.4211	4.3237	2.6431	4.3116	3.8749	4.7211		2.6970
H15	3.3294	3.3805	2.3261	3.7989	3.2891	2.1887	1.0847	3.4211	4.3237	4.3116	2.6431	4.7211	3.8749	2.6970

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	98.383	C1	C2	C6	98.383
C1	C2	H10	117.566	C1	C3	C5	98.383
C1	C3	C7	98.383	C1	C3	H11	117.566
C2	C1	C3	91.749	C2	C1	H8	113.247
C2	C1	H9	113.247	C2	C4	C5	106.875
C2	C4	H12	124.338	C2	C6	C7	106.875
C2	C6	H14	124.338	C3	C1	H8	113.247
C3	C1	H9	113.247	C3	C5	C4	106.875
C3	C5	H13	124.338	C3	C7	C6	106.875
C3	C7	H15	124.338	C4	C2	C6	108.296
C4	C2	H10	115.810	C4	C5	H13	128.722
C5	C3	C7	108.296	C5	C3	H11	115.810
C5	C4	H12	128.722	C6	C2	H10	115.810
C6	C7	H15	128.722	C7	C3	H11	115.810
C7	C6	H14	128.722	H8	C1	H9	110.930

All results from a given calculation for C₇H₈ (Norbornadiene)

using model chemistry: MP2/6-31G*

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: MP2/6-31G*

States and conformations

All results from a given calculation for C₇H₈ (Norbornadiene)