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	hartrees
Energy at 0K	-193.669322
Energy at 298.15K	-193.675634
HF Energy	-192.775685
Nuclear repulsion energy	161.271880

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3278	3112	2.56
2	A'	3262	3097	27.40
3	A'	3251	3086	3.60
4	A'	3162	3002	21.08
5	A'	1573	1493	4.95
6	A'	1492	1417	2.82
7	A'	1313	1247	1.22
8	A'	1220	1158	1.11
9	A'	1128	1071	1.75
10	A'	1053	1000	2.15
11	A'	981	932	3.98
12	A'	877	833	1.92
13	A'	825	783	0.23
14	A'	751	713	66.40
15	A'	426	405	7.27
16	A"	3266	3101	6.65
17	A"	3228	3065	5.82
18	A"	1330	1263	20.98
19	A"	1240	1177	0.06
20	A"	1098	1042	4.54
21	A"	1055	1002	2.56
22	A"	1047	994	5.39
23	A"	969	920	1.51
24	A"	896	851	9.52
25	A"	831	789	7.08
26	A"	801	760	25.98
27	A"	455	432	1.09

Atom	x (Å)	y (Å)	z (Å)
C1	-0.264	1.044	0.671
C2	-0.264	1.044	-0.671
C3	-0.264	-0.465	0.760
C4	-0.264	-0.465	-0.760
C5	0.924	-0.989	0.000
H6	-0.197	1.795	1.438
H7	-0.197	1.795	-1.438
H8	-0.860	-1.052	1.432
H9	-0.860	-1.052	-1.432
H10	1.851	-0.432	0.000
H11	1.053	-2.062	0.000

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11
C1		1.3416	1.5117	2.0797	2.4478	1.0753	2.2391	2.3084	3.0285	2.6648	3.4392
C2	1.3416		2.0797	1.5117	2.4478	2.2391	1.0753	3.0285	2.3084	2.6648	3.4392
C3	1.5117	2.0797		1.5207	1.5045	2.3601	3.1531	1.0733	2.3470	2.2479	2.2049
C4	2.0797	1.5117	1.5207		1.5045	3.1531	2.3601	2.3470	1.0733	2.2479	2.2049
C5	2.4478	2.4478	1.5045	1.5045		3.3269	3.3269	2.2892	2.2892	1.0812	1.0808
H6	1.0753	2.2391	2.3601	3.1531	3.3269		2.8751	2.9231	4.0965	3.3492	4.3010
H7	2.2391	1.0753	3.1531	2.3601	3.3269	2.8751		4.0965	2.9231	3.3492	4.3010
H8	2.3084	3.0285	1.0733	2.3470	2.2892	2.9231	4.0965		2.8648	3.1288	2.5949
H9	3.0285	2.3084	2.3470	1.0733	2.2892	4.0965	2.9231	2.8648		3.1288	2.5949
H10	2.6648	2.6648	2.2479	2.2479	1.0812	3.3492	3.3492	3.1288	3.1288		1.8144
H11	3.4392	3.4392	2.2049	2.2049	1.0808	4.3010	4.3010	2.5949	2.5949	1.8144

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	93.396	C1	C2	H7	135.487
C1	C3	C4	86.604	C1	C3	C5	108.493
C1	C3	H8	125.660	C2	C1	C3	93.396
C2	C1	H6	135.487	C2	C4	C3	86.604
C2	C4	C5	108.493	C2	C4	H9	125.660
C3	C1	H6	130.905	C3	C4	C5	59.644
C3	C4	H9	128.768	C3	C5	C4	60.713
C3	C5	H10	119.871	C3	C5	H11	116.084
C4	C2	H7	130.905	C4	C3	C5	59.644
C4	C3	H8	128.768	C4	C5	H10	119.871
C4	C5	H11	116.084	C5	C3	H8	124.416
C5	C4	H9	124.416	H10	C5	H11	114.114

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

using model chemistry: MP2=FULL/cc-pVTZ

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: MP2=FULL/cc-pVTZ

States and conformations

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