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	hartrees
Energy at 0K	-193.797325
Energy at 298.15K
HF Energy	-193.576105
Nuclear repulsion energy	160.242437

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3255	3088	7.16
2	A'	3248	3081	47.14
3	A'	3235	3069	2.63
4	A'	3147	2985	29.62
5	A'	1611	1528	4.66
6	A'	1520	1442	0.71
7	A'	1325	1257	0.64
8	A'	1227	1164	1.50
9	A'	1134	1076	1.35
10	A'	1057	1003	1.92
11	A'	983	932	2.94
12	A'	884	838	3.64
13	A'	826	784	0.02
14	A'	749	710	58.84
15	A'	428	407	5.48
16	A"	3240	3074	20.09
17	A"	3221	3056	6.94
18	A"	1345	1276	19.77
19	A"	1249	1185	0.09
20	A"	1113	1056	4.60
21	A"	1073	1018	4.85
22	A"	1062	1007	0.95
23	A"	964	914	2.77
24	A"	890	844	10.44
25	A"	834	791	2.71
26	A"	800	759	26.59
27	A"	460	437	1.98

Atom	x (Å)	y (Å)	z (Å)
C1	-0.265	1.055	0.671
C2	-0.265	1.055	-0.671
C3	-0.265	-0.466	0.762
C4	-0.265	-0.466	-0.762
C5	0.925	-1.007	0.000
H6	-0.185	1.812	1.443
H7	-0.185	1.812	-1.443
H8	-0.874	-1.053	1.438
H9	-0.874	-1.053	-1.438
H10	1.870	-0.464	0.000
H11	1.046	-2.090	0.000

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11
C1		1.3421	1.5239	2.0896	2.4738	1.0840	2.2469	2.3247	3.0436	2.7045	3.4726
C2	1.3421		2.0896	1.5239	2.4738	2.2469	1.0840	3.0436	2.3247	2.7045	3.4726
C3	1.5239	2.0896		1.5232	1.5129	2.3789	3.1711	1.0831	2.3565	2.2661	2.2213
C4	2.0896	1.5239	1.5232		1.5129	3.1711	2.3789	2.3565	1.0831	2.2661	2.2213
C5	2.4738	2.4738	1.5129	1.5129		3.3559	3.3559	2.3034	2.3034	1.0893	1.0893
H6	1.0840	2.2469	2.3789	3.1711	3.3559		2.8863	2.9466	4.1210	3.3888	4.3382
H7	2.2469	1.0840	3.1711	2.3789	3.3559	2.8863		4.1210	2.9466	3.3888	4.3382
H8	2.3247	3.0436	1.0831	2.3565	2.3034	2.9466	4.1210		2.8757	3.1527	2.6127
H9	3.0436	2.3247	2.3565	1.0831	2.3034	4.1210	2.9466	2.8757		3.1527	2.6127
H10	2.7045	2.7045	2.2661	2.2661	1.0893	3.3888	3.3888	3.1527	3.1527		1.8224
H11	3.4726	3.4726	2.2213	2.2213	1.0893	4.3382	4.3382	2.6127	2.6127	1.8224

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	93.407	C1	C2	H7	135.423
C1	C3	C4	86.593	C1	C3	C5	109.102
C1	C3	H8	125.334	C2	C1	C3	93.407
C2	C1	H6	135.423	C2	C4	C3	86.593
C2	C4	C5	109.102	C2	C4	H9	125.334
C3	C1	H6	130.876	C3	C4	C5	59.774
C3	C4	H9	128.635	C3	C5	C4	60.453
C3	C5	H10	120.231	C3	C5	H11	116.270
C4	C2	H7	130.876	C4	C3	C5	59.774
C4	C3	H8	128.635	C4	C5	H10	120.231
C4	C5	H11	116.270	C5	C3	H8	124.234
C5	C4	H9	124.234	H10	C5	H11	113.545

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

using model chemistry: B2PLYP=FULLultrafine/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: B2PLYP=FULLultrafine/6-31G*

States and conformations

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