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	hartrees
Energy at 0K	-193.964689
Energy at 298.15K	-193.970761
Nuclear repulsion energy	158.864718

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3112	3104	9.46
2	A	3103	3095	81.75
3	A	3092	3084	1.95
4	A	3008	3001	48.76
5	A	1542	1538	5.38
6	A	1444	1441	1.78
7	A	1242	1239	0.80
8	A	1163	1160	1.32
9	A	1077	1075	1.92
10	A	1003	1001	1.58
11	A	932	930	3.29
12	A	808	806	3.83
13	A	776	774	0.01
14	A	704	703	65.97
15	A	406	405	7.19
16	A	3097	3090	31.21
17	A	3073	3066	16.11
18	A	1269	1266	22.33
19	A	1186	1183	0.13
20	A	1048	1045	6.05
21	A	1009	1006	0.00
22	A	1003	1001	6.26
23	A	905	903	4.06
24	A	837	835	7.60
25	A	803	801	1.79
26	A	753	751	30.98
27	A	438	437	1.46

Atom	x (Å)	y (Å)	z (Å)
C1	-0.269	1.066	0.676
C2	-0.269	1.066	-0.676
C3	-0.269	-0.462	0.769
C4	-0.269	-0.462	-0.769
C5	0.930	-1.026	0.000
H6	-0.119	1.842	1.430
H7	-0.119	1.842	-1.430
H8	-0.894	-1.088	1.406
H9	-0.894	-1.088	-1.406
H10	1.877	-0.481	0.000
H11	1.028	-2.118	0.000

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11
C1		1.3521	1.5314	2.1037	2.5050	1.0925	2.2498	2.3589	3.0606	2.7310	3.5038
C2	1.3521		2.1037	1.5314	2.5050	2.2498	1.0925	3.0606	2.3589	2.7310	3.5038
C3	1.5314	2.1037		1.5384	1.5324	2.4020	3.1892	1.0900	2.3485	2.2803	2.2393
C4	2.1037	1.5314	1.5384		1.5324	3.1892	2.4020	2.3485	1.0900	2.2803	2.2393
C5	2.5050	2.5050	1.5324	1.5324		3.3726	3.3726	2.3043	2.3043	1.0932	1.0955
H6	1.0925	2.2498	2.4020	3.1892	3.3726		2.8609	3.0308	4.1513	3.3802	4.3634
H7	2.2498	1.0925	3.1892	2.4020	3.3726	2.8609		4.1513	3.0308	3.3802	4.3634
H8	2.3589	3.0606	1.0900	2.3485	2.3043	3.0308	4.1513		2.8128	3.1667	2.5949
H9	3.0606	2.3589	2.3485	1.0900	2.3043	4.1513	3.0308	2.8128		3.1667	2.5949
H10	2.7310	2.7310	2.2803	2.2803	1.0932	3.3802	3.3802	3.1667	3.1667		1.8440
H11	3.5038	3.5038	2.2393	2.2393	1.0955	4.3634	4.3634	2.5949	2.5949	1.8440

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	93.487	C1	C2	H7	133.673
C1	C3	C4	86.513	C1	C3	C5	109.693
C1	C3	H8	127.473	C2	C1	C3	93.487
C2	C1	H6	133.673	C2	C4	C3	86.513
C2	C4	C5	109.693	C2	C4	H9	127.473
C3	C1	H6	131.815	C3	C4	C5	59.870
C3	C4	H9	125.776	C3	C5	C4	60.260
C3	C5	H10	119.628	C3	C5	H11	115.892
C4	C2	H7	131.815	C4	C3	C5	59.870
C4	C3	H8	125.776	C4	C5	H10	119.628
C4	C5	H11	115.892	C5	C3	H8	122.070
C5	C4	H9	122.070	H10	C5	H11	114.814

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

using model chemistry: BLYP/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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Number	Element	Mulliken
1	C	-0.164
2	C	-0.164
3	C	-0.196
4	C	-0.196
5	C	-0.387
6	H	0.166
7	H	0.166
8	H	0.189
9	H	0.189
10	H	0.198
11	H	0.197

	x	y	z	Total
	0.133	-0.389	0.000	0.412
CHELPG
AIM
ESP

<r²>	89.093
(<r²>)^1/2	9.439

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

using model chemistry: BLYP/6-311G*

States and conformations

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