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	hartrees
Energy at 0K	-193.386619
Energy at 298.15K	-193.392959
HF Energy	-192.709381
Nuclear repulsion energy	160.122936

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3258	3083	8.11
2	A'	3248	3075	36.71
3	A'	3236	3063	2.83
4	A'	3150	2981	22.89
5	A'	1639	1551	3.64
6	A'	1530	1449	1.05
7	A'	1356	1283	0.47
8	A'	1242	1176	1.43
9	A'	1143	1082	1.29
10	A'	1068	1011	1.67
11	A'	993	940	2.99
12	A'	919	869	3.72
13	A'	841	796	0.15
14	A'	753	712	60.60
15	A'	437	414	5.94
16	A"	3241	3067	16.51
17	A"	3223	3051	5.30
18	A"	1359	1287	19.50
19	A"	1262	1195	0.41
20	A"	1130	1070	4.58
21	A"	1099	1040	4.77
22	A"	1075	1018	2.13
23	A"	978	926	2.05
24	A"	898	850	8.64
25	A"	844	798	4.07
26	A"	813	769	24.65
27	A"	466	441	1.94

Atom	x (Å)	y (Å)	z (Å)
C1	-0.268	1.057	0.674
C2	-0.268	1.057	-0.674
C3	-0.268	-0.461	0.760
C4	-0.268	-0.461	-0.760
C5	0.923	-1.012	0.000
H6	-0.115	1.827	1.426
H7	-0.115	1.827	-1.426
H8	-0.886	-1.084	1.400
H9	-0.886	-1.084	-1.400
H10	1.862	-0.460	0.000
H11	1.030	-2.098	0.000

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11
C1		1.3471	1.5205	2.0879	2.4797	1.0876	2.2417	2.3438	3.0438	2.6994	3.4771
C2	1.3471		2.0879	1.5205	2.4797	2.2417	1.0876	3.0438	2.3438	2.6994	3.4771
C3	1.5205	2.0879		1.5200	1.5157	2.3879	3.1683	1.0861	2.3313	2.2609	2.2228
C4	2.0879	1.5205	1.5200		1.5157	3.1683	2.3879	2.3313	1.0861	2.2609	2.2228
C5	2.4797	2.4797	1.5157	1.5157		3.3416	3.3416	2.2883	2.2883	1.0893	1.0916
H6	1.0876	2.2417	2.3879	3.1683	3.3416		2.8525	3.0114	4.1297	3.3417	4.3299
H7	2.2417	1.0876	3.1683	2.3879	3.3416	2.8525		4.1297	3.0114	3.3417	4.3299
H8	2.3438	3.0438	1.0861	2.3313	2.2883	3.0114	4.1297		2.7996	3.1464	2.5807
H9	3.0438	2.3438	2.3313	1.0861	2.2883	4.1297	3.0114	2.7996		3.1464	2.5807
H10	2.6994	2.6994	2.2609	2.2609	1.0893	3.3417	3.3417	3.1464	3.1464		1.8372
H11	3.4771	3.4771	2.2228	2.2228	1.0916	4.3299	4.3299	2.5807	2.5807	1.8372

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	93.260	C1	C2	H7	133.796
C1	C3	C4	86.740	C1	C3	C5	109.513
C1	C3	H8	127.300	C2	C1	C3	93.260
C2	C1	H6	133.796	C2	C4	C3	86.740
C2	C4	C5	109.513	C2	C4	H9	127.300
C3	C1	H6	131.870	C3	C4	C5	59.906
C3	C4	H9	126.090	C3	C5	C4	60.188
C3	C5	H10	119.532	C3	C5	H11	116.030
C4	C2	H7	131.870	C4	C3	C5	59.906
C4	C3	H8	126.090	C4	C5	H10	119.532
C4	C5	H11	116.030	C5	C3	H8	122.296
C5	C4	H9	122.296	H10	C5	H11	114.791

All results from a given calculation for C₅H₆ (Bicyclo[2.1.0]pent-2-ene)

using model chemistry: CCD/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 C5H6 (Bicyclo[2.1.0]pent-2-ene)

using model chemistry: CCD/6-31G*

States and conformations

All results from a given calculation for C₅H₆ (Bicyclo[2.1.0]pent-2-ene)