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	hartrees
Energy at 0K	-232.640898
Energy at 298.15K	-232.649961
HF Energy	-231.825918
Nuclear repulsion energy	224.959601

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3274	3119	9.25
2	A	3254	3099	16.89
3	A	3233	3079	13.11
4	A	3229	3076	6.98
5	A	3221	3068	3.73
6	A	3165	3014	11.86
7	A	3120	2972	18.61
8	A	3069	2924	36.51
9	A	1648	1569	2.14
10	A	1478	1408	3.25
11	A	1468	1399	1.36
12	A	1390	1324	4.76
13	A	1387	1321	0.08
14	A	1325	1262	1.37
15	A	1291	1230	0.01
16	A	1207	1149	2.30
17	A	1185	1129	1.22
18	A	1124	1071	0.86
19	A	1095	1043	0.38
20	A	1084	1032	0.94
21	A	1066	1015	4.45
22	A	1047	997	7.97
23	A	1034	985	2.12
24	A	999	952	2.39
25	A	962	917	2.90
26	A	938	893	3.06
27	A	927	883	4.42
28	A	889	847	2.70
29	A	815	776	8.15
30	A	793	756	10.89
31	A	775	738	0.63
32	A	725	691	35.59
33	A	671	639	1.63
34	A	477	455	5.39
35	A	349	333	0.70
36	A	279	266	0.18

Atom	x (Å)	y (Å)	z (Å)
C1	0.641	-0.783	-0.387
C2	-0.800	-1.155	-0.043
C3	0.726	0.746	-0.449
C4	1.443	-0.028	0.650
C5	-1.464	0.186	0.212
C6	-0.636	1.222	-0.065
H7	1.194	-1.392	-1.108
H8	-1.289	-1.685	-0.883
H9	-0.860	-1.823	0.836
H10	1.317	1.267	-1.208
H11	1.034	0.059	1.663
H12	2.533	-0.110	0.582
H13	-2.489	0.287	0.584
H14	-0.901	2.280	0.030

	C1	C2	C3	C4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14
C1		1.5279	1.5328	1.5127	2.3942	2.3994	1.0935	2.1872	2.1980	2.3100	2.2506	2.2290	3.4479	3.4551
C2	1.5279		2.4716	2.6045	1.5181	2.3830	2.2730	1.1065	1.1060	3.4219	2.7841	3.5482	2.3078	3.4376
C3	1.5328	2.4716		1.5236	2.3557	1.4934	2.2852	3.1868	3.2812	1.0942	2.2415	2.2490	3.4081	2.2873
C4	1.5127	2.6045	1.5236		2.9483	2.5298	2.2389	3.5437	2.9257	2.2684	1.0955	1.0944	3.9455	3.3482
C5	2.3942	1.5181	2.3557	2.9483		1.3551	3.3611	2.1742	2.1887	3.3051	2.8923	4.0249	1.0948	2.1764
C6	2.3994	2.3830	1.4934	2.5298	1.3551		3.3568	3.0890	3.1835	2.2637	2.6700	3.4979	2.1744	1.0949
H7	1.0935	2.2730	2.2852	2.2389	3.3611	3.3568		2.5100	2.8611	2.6637	3.1319	2.5083	4.3870	4.3779
H8	2.1872	1.1065	3.1868	3.5437	2.1742	3.0890	2.5100		1.7778	3.9511	3.8626	4.3850	2.7350	4.0867
H9	2.1980	1.1060	3.2812	2.9257	2.1887	3.1835	2.8611	1.7778		4.2976	2.7954	3.8087	2.6778	4.1818
H10	2.3100	3.4219	1.0942	2.2684	3.3051	2.2637	2.6637	3.9511	4.2976		3.1269	2.5645	4.3197	2.7349
H11	2.2506	2.7841	2.2415	1.0955	2.8923	2.6700	3.1319	3.8626	2.7954	3.1269		1.8548	3.6919	3.3681
H12	2.2290	3.5482	2.2490	1.0944	4.0249	3.4979	2.5083	4.3850	3.8087	2.5645	1.8548		5.0372	4.2200
H13	3.4479	2.3078	3.4081	3.9455	1.0948	2.1744	4.3870	2.7350	2.6778	4.3197	3.6919	5.0372		2.6076
H14	3.4551	3.4376	2.2873	3.3482	2.1764	1.0949	4.3779	4.0867	4.1818	2.7349	3.3681	4.2200	2.6076

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C5	103.628	C1	C2	H8	111.240
C1	C2	H9	112.133	C1	C3	C4	59.330
C1	C3	C6	104.901	C1	C3	H10	122.240
C1	C4	C3	60.640	C1	C4	H11	118.408
C1	C4	H12	116.600	C2	C1	C3	107.708
C2	C1	C4	117.867	C2	C1	H7	119.321
C2	C5	C6	111.946	C2	C5	H13	123.261
C3	C1	C4	60.030	C3	C1	H7	120.021
C3	C4	H11	116.762	C3	C4	H12	117.491
C3	C6	C5	111.487	C3	C6	H14	123.444
C4	C1	H7	117.520	C4	C3	C6	113.967
C4	C3	H10	119.211	C5	C2	H8	110.899
C5	C2	H9	112.094	C5	C6	H14	124.985
C6	C3	H10	121.274	C6	C5	H13	124.791
H8	C2	H9	106.933	H11	C4	H12	115.773

All results from a given calculation for C₆H₈ (Bicyclo[3.1.0]hex-2-ene)

using model chemistry: MP2/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 C6H8 (Bicyclo[3.1.0]hex-2-ene)

using model chemistry: MP2/cc-pVDZ

States and conformations

All results from a given calculation for C₆H₈ (Bicyclo[3.1.0]hex-2-ene)