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	hartrees
Energy at 0K	-232.589268
Energy at 298.15K	-232.598829
HF Energy	-231.773894
Nuclear repulsion energy	230.986888

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3301	3099	9.89
2	A₁	3189	2993	36.56
3	A₁	3186	2991	8.92
4	A₁	3122	2930	34.22
5	A₁	1668	1566	0.45
6	A₁	1574	1478	0.18
7	A₁	1324	1242	1.70
8	A₁	1176	1104	1.24
9	A₁	1101	1034	0.09
10	A₁	1030	967	0.01
11	A₁	988	928	0.10
12	A₁	885	831	1.47
13	A₁	549	516	0.32
14	A₂	1268	1190	0.00
15	A₂	1154	1084	0.00
16	A₂	1097	1029	0.00
17	A₂	891	836	0.00
18	A₂	878	824	0.00
19	A₂	547	513	0.00
20	B₁	3184	2989	30.43
21	B₁	3113	2922	45.56
22	B₁	1541	1447	0.64
23	B₁	1269	1191	1.71
24	B₁	1039	975	2.64
25	B₁	857	804	3.79
26	B₁	682	640	41.79
27	B₁	463	434	9.01
28	B₂	3276	3075	4.78
29	B₂	3183	2987	72.46
30	B₂	1379	1294	13.51
31	B₂	1297	1218	2.21
32	B₂	1281	1202	7.66
33	B₂	1140	1070	2.75
34	B₂	948	889	0.07
35	B₂	876	822	6.51
36	B₂	755	708	0.27

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.671	1.212
C2	0.000	-0.671	1.212
C3	0.000	-1.021	-0.282
C4	0.000	1.021	-0.282
C5	1.063	0.000	-0.805
C6	-1.063	0.000	-0.805
H7	0.000	1.369	2.041
H8	0.000	-1.369	2.041
H9	0.000	-2.072	-0.575
H10	0.000	2.072	-0.575
H11	2.042	0.000	-0.318
H12	-2.042	0.000	-0.318
H13	-1.166	0.000	-1.896
H14	1.166	0.000	-1.896

	C1	C2	C3	C4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14
C1		1.3414	2.2570	1.5349	2.3770	2.3770	1.0832	2.2013	3.2740	2.2715	2.6383	2.6383	3.3870	3.3870
C2	1.3414		1.5349	2.2570	2.3770	2.3770	2.2013	1.0832	2.2715	3.2740	2.6383	2.6383	3.3870	3.3870
C3	2.2570	1.5349		2.0410	1.5635	1.5635	3.3323	2.3487	1.0917	3.1065	2.2828	2.2828	2.2374	2.2374
C4	1.5349	2.2570	2.0410		1.5635	1.5635	2.3487	3.3323	3.1065	1.0917	2.2828	2.2828	2.2374	2.2374
C5	2.3770	2.3770	1.5635	1.5635		2.1254	3.3319	3.3319	2.3401	2.3401	1.0934	3.1423	2.4815	1.0956
C6	2.3770	2.3770	1.5635	1.5635	2.1254		3.3319	3.3319	2.3401	2.3401	3.1423	1.0934	1.0956	2.4815
H7	1.0832	2.2013	3.3323	2.3487	3.3319	3.3319		2.7376	4.3224	2.7087	3.4066	3.4066	4.3278	4.3278
H8	2.2013	1.0832	2.3487	3.3323	3.3319	3.3319	2.7376		2.7087	4.3224	3.4066	3.4066	4.3278	4.3278
H9	3.2740	2.2715	1.0917	3.1065	2.3401	2.3401	4.3224	2.7087		4.1443	2.9203	2.9203	2.7200	2.7200
H10	2.2715	3.2740	3.1065	1.0917	2.3401	2.3401	2.7087	4.3224	4.1443		2.9203	2.9203	2.7200	2.7200
H11	2.6383	2.6383	2.2828	2.2828	1.0934	3.1423	3.4066	3.4066	2.9203	2.9203		4.0832	3.5749	1.8045
H12	2.6383	2.6383	2.2828	2.2828	3.1423	1.0934	3.4066	3.4066	2.9203	2.9203	4.0832		1.8045	3.5749
H13	3.3870	3.3870	2.2374	2.2374	2.4815	1.0956	4.3278	4.3278	2.7200	2.7200	3.5749	1.8045		2.3324
H14	3.3870	3.3870	2.2374	2.2374	1.0956	2.4815	4.3278	4.3278	2.7200	2.7200	1.8045	3.5749	2.3324

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	103.174	C1	C2	H8	130.129
C1	C4	C5	100.196	C1	C4	C6	100.196
C1	C4	H10	118.745	C2	C1	C4	103.174
C2	C1	H7	130.129	C2	C3	C5	100.196
C2	C3	C6	100.196	C2	C3	H9	118.745
C3	C2	H8	126.697	C3	C5	C4	81.495
C3	C5	H11	117.352	C3	C5	H14	113.408
C3	C6	C4	81.495	C3	C6	H12	117.352
C3	C6	H13	113.408	C4	C1	H7	126.697
C4	C5	H11	117.352	C4	C5	H14	113.408
C4	C6	H12	117.352	C4	C6	H13	113.408
C5	C3	C6	85.642	C5	C3	H9	122.612
C5	C4	C6	85.642	C5	C4	H10	122.612
C6	C3	H9	122.612	C6	C4	H10	122.612
H11	C5	H14	111.038	H12	C6	H13	111.038

All results from a given calculation for C₆H₈ (Bicyclo[2.1.1]hex-2-ene)

using model chemistry: MP3/6-31G*

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 C6H8 (Bicyclo[2.1.1]hex-2-ene)

using model chemistry: MP3/6-31G*

States and conformations

All results from a given calculation for C₆H₈ (Bicyclo[2.1.1]hex-2-ene)