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	hartrees
Energy at 0K	-43.915442
Energy at 298.15K	-43.924747
Nuclear repulsion energy	147.060345

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3248	3095	9.36
2	A₁	3151	3002	9.08
3	A₁	3081	2936	47.29
4	A₁	1595	1519	0.28
5	A₁	1540	1467	1.12
6	A₁	1259	1200	5.44
7	A₁	1126	1073	0.47
8	A₁	960	915	2.85
9	A₁	910	867	11.38
10	A₁	787	750	1.66
11	A₁	734	699	75.09
12	A₁	428	408	7.79
13	A₂	3222	3070	0.00
14	A₂	1310	1249	0.00
15	A₂	1268	1208	0.00
16	A₂	1138	1084	0.00
17	A₂	944	899	0.00
18	A₂	881	840	0.00
19	A₂	714	681	0.00
20	A₂	444	423	0.00
21	B₁	3246	3093	22.59
22	B₁	3158	3009	36.09
23	B₁	1554	1480	6.35
24	B₁	1245	1186	2.10
25	B₁	1081	1030	1.29
26	B₁	1038	989	0.56
27	B₁	939	894	2.19
28	B₁	679	647	46.83
29	B₁	508	484	7.28
30	B₂	3224	3071	13.63
31	B₂	3149	3000	62.86
32	B₂	1343	1280	23.76
33	B₂	1277	1217	0.07
34	B₂	1172	1116	1.06
35	B₂	975	929	0.00
36	B₂	910	867	0.34
37	B₂	871	830	3.32
38	B₂	818	780	7.82
39	B₂	547	521	1.22

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	1.356
C2	0.000	1.128	0.275
C3	0.000	-1.128	0.275
C4	1.242	0.678	-0.522
C5	1.242	-0.678	-0.522
C6	-1.242	0.678	-0.522
C7	-1.242	-0.678	-0.522
H8	-0.904	0.000	1.977
H9	0.904	0.000	1.977
H10	0.000	2.167	0.616
H11	0.000	-2.167	0.616
H12	1.938	1.346	-1.022
H13	1.938	-1.346	-1.022
H14	-1.938	1.346	-1.022
H15	-1.938	-1.346	-1.022

	C1	C2	C3	C4	C5	C6	C7	H8	H9	H10	H11	H12	H13	H14	H15
C1		1.5619	1.5619	2.3513	2.3513	2.3513	2.3513	1.0966	1.0966	2.2894	2.2894	3.3501	3.3501	3.3501	3.3501
C2	1.5619		2.2551	1.5426	2.3317	1.5426	2.3317	2.2326	2.2326	1.0935	3.3117	2.3425	3.3994	2.3425	3.3994
C3	1.5619	2.2551		2.3317	1.5426	2.3317	1.5426	2.2326	2.2326	3.3117	1.0935	3.3994	2.3425	3.3994	2.3425
C4	2.3513	1.5426	2.3317		1.3557	2.4835	2.8294	3.3627	2.6113	2.2480	3.3057	1.0867	2.1976	3.2875	3.8022
C5	2.3513	2.3317	1.5426	1.3557		2.8294	2.4835	3.3627	2.6113	3.3057	2.2480	2.1976	1.0867	3.8022	3.2875
C6	2.3513	1.5426	2.3317	2.4835	2.8294		1.3557	2.6113	3.3627	2.2480	3.3057	3.2875	3.8022	1.0867	2.1976
C7	2.3513	2.3317	1.5426	2.8294	2.4835	1.3557		2.6113	3.3627	3.3057	2.2480	3.8022	3.2875	2.1976	1.0867
H8	1.0966	2.2326	2.2326	3.3627	3.3627	2.6113	2.6113		1.8077	2.7134	2.7134	4.3454	4.3454	3.4461	3.4461
H9	1.0966	2.2326	2.2326	2.6113	2.6113	3.3627	3.3627	1.8077		2.7134	2.7134	3.4461	3.4461	4.3454	4.3454
H10	2.2894	1.0935	3.3117	2.2480	3.3057	2.2480	3.3057	2.7134	2.7134		4.3330	2.6673	4.3330	2.6673	4.3330
H11	2.2894	3.3117	1.0935	3.3057	2.2480	3.3057	2.2480	2.7134	2.7134	4.3330		4.3330	2.6673	4.3330	2.6673
H12	3.3501	2.3425	3.3994	1.0867	2.1976	3.2875	3.8022	4.3454	3.4461	2.6673	4.3330		2.6911	3.8764	4.7189
H13	3.3501	3.3994	2.3425	2.1976	1.0867	3.8022	3.2875	4.3454	3.4461	4.3330	2.6673	2.6911		4.7189	3.8764
H14	3.3501	2.3425	3.3994	3.2875	3.8022	1.0867	2.1976	3.4461	4.3454	2.6673	4.3330	3.8764	4.7189		2.6911
H15	3.3501	3.3994	2.3425	3.8022	3.2875	2.1976	1.0867	3.4461	4.3454	4.3330	2.6673	4.7189	3.8764	2.6911

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	98.462	C1	C2	C6	98.462
C1	C2	H10	118.042	C1	C3	C5	98.462
C1	C3	C7	98.462	C1	C3	H11	118.042
C2	C1	C3	92.423	C2	C1	H8	113.070
C2	C1	H9	113.070	C2	C4	C5	106.949
C2	C4	H12	125.071	C2	C6	C7	106.949
C2	C6	H14	125.071	C3	C1	H8	113.070
C3	C1	H9	113.070	C3	C5	C4	106.949
C3	C5	H13	125.071	C3	C7	C6	106.949
C3	C7	H15	125.071	C4	C2	C6	107.215
C4	C2	H10	115.984	C4	C5	H13	127.909
C5	C3	C7	107.215	C5	C3	H11	115.984
C5	C4	H12	127.909	C6	C2	H10	115.984
C6	C7	H15	127.909	C7	C3	H11	115.984
C7	C6	H14	127.909	H8	C1	H9	111.019

All results from a given calculation for C₇H₈ (Norbornadiene)

using model chemistry: MP2/CEP-121G*

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/CEP-121G*

States and conformations

All results from a given calculation for C₇H₈ (Norbornadiene)