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	hartrees
Energy at 0K	-193.513527
Energy at 298.15K	-193.519788
HF Energy	-192.742115
Nuclear repulsion energy	160.171377

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3254	3082	11.41
2	A	3244	3072	13.86
3	A	3239	3068	22.25
4	A	3142	2976	24.16
5	A	1563	1480	3.74
6	A	1504	1424	3.24
7	A	1316	1246	1.72
8	A	1220	1156	1.27
9	A	1125	1066	2.07
10	A	1053	997	1.97
11	A	979	927	4.23
12	A	868	822	2.98
13	A	824	780	0.23
14	A	739	700	75.15
15	A	424	401	9.04
16	A	3240	3069	10.82
17	A	3210	3040	8.38
18	A	1328	1258	23.10
19	A	1233	1168	0.42
20	A	1098	1040	7.96
21	A	1055	999	0.91
22	A	1052	997	7.25
23	A	965	914	0.70
24	A	869	823	9.58
25	A	821	777	15.54
26	A	798	755	21.63
27	A	450	426	1.37

Atom	x (Å)	y (Å)	z (Å)
C1	-0.269	1.051	0.678
C2	-0.269	1.051	-0.678
C3	-0.269	-0.461	0.764
C4	-0.269	-0.461	-0.764
C5	0.926	-1.002	0.000
H6	-0.111	1.821	1.427
H7	-0.111	1.821	-1.427
H8	-0.884	-1.093	1.393
H9	-0.884	-1.093	-1.393
H10	1.851	-0.432	0.000
H11	1.041	-2.085	0.000

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11
C1		1.3552	1.5145	2.0889	2.4702	1.0862	2.2468	2.3421	3.0434	2.6744	3.4654
C2	1.3552		2.0889	1.5145	2.4702	2.2468	1.0862	3.0434	2.3421	2.6744	3.4654
C3	1.5145	2.0889		1.5271	1.5178	2.3819	3.1674	1.0835	2.3302	2.2535	2.2218
C4	2.0889	1.5145	1.5271		1.5178	3.1674	2.3819	2.3302	1.0835	2.2535	2.2218
C5	2.4702	2.4702	1.5178	1.5178		3.3289	3.3289	2.2862	2.2862	1.0865	1.0889
H6	1.0862	2.2468	2.3819	3.1674	3.3289		2.8545	3.0146	4.1283	3.3109	4.3151
H7	2.2468	1.0862	3.1674	2.3819	3.3289	2.8545		4.1283	3.0146	3.3109	4.3151
H8	2.3421	3.0434	1.0835	2.3302	2.2862	3.0146	4.1283		2.7868	3.1399	2.5755
H9	3.0434	2.3421	2.3302	1.0835	2.2862	4.1283	3.0146	2.7868		3.1399	2.5755
H10	2.6744	2.6744	2.2535	2.2535	1.0865	3.3109	3.3109	3.1399	3.1399		1.8406
H11	3.4654	3.4654	2.2218	2.2218	1.0889	4.3151	4.3151	2.5755	2.5755	1.8406

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	93.253	C1	C2	H7	133.640
C1	C3	C4	86.747	C1	C3	C5	109.103
C1	C3	H8	127.943	C2	C1	C3	93.253
C2	C1	H6	133.640	C2	C4	C3	86.747
C2	C4	C5	109.103	C2	C4	H9	127.943
C3	C1	H6	131.960	C3	C4	C5	59.797
C3	C4	H9	125.542	C3	C5	C4	60.407
C3	C5	H10	118.896	C3	C5	H11	115.957
C4	C2	H7	131.960	C4	C3	C5	59.797
C4	C3	H8	125.542	C4	C5	H10	118.896
C4	C5	H11	115.957	C5	C3	H8	122.125
C5	C4	H9	122.125	H10	C5	H11	115.576

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

using model chemistry: MP2=FULL/6-311G*

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/6-311G*

States and conformations

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