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	hartrees
Energy at 0K	-194.008193
Energy at 298.15K	-194.014510
HF Energy	-194.008193
Nuclear repulsion energy	160.561637

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3229	3088	6.58
2	A'	3219	3079	42.42
3	A'	3209	3069	0.59
4	A'	3119	2983	29.61
5	A'	1638	1567	5.76
6	A'	1488	1423	2.83
7	A'	1316	1259	0.96
8	A'	1217	1164	1.04
9	A'	1123	1074	2.25
10	A'	1046	1000	1.72
11	A'	976	934	4.10
12	A'	893	854	3.28
13	A'	819	783	0.37
14	A'	750	718	72.16
15	A'	432	413	7.35
16	A"	3209	3070	18.01
17	A"	3192	3053	4.68
18	A"	1332	1274	24.59
19	A"	1237	1183	0.02
20	A"	1089	1042	3.80
21	A"	1058	1012	9.37
22	A"	1049	1003	0.61
23	A"	965	923	5.13
24	A"	912	872	7.68
25	A"	838	802	2.61
26	A"	792	758	34.51
27	A"	459	439	1.50

Atom	x (Å)	y (Å)	z (Å)
C1	-0.267	1.054	0.669
C2	-0.267	1.054	-0.669
C3	-0.267	-0.461	0.758
C4	-0.267	-0.461	-0.758
C5	0.924	-1.009	0.000
H6	-0.128	1.823	1.418
H7	-0.128	1.823	-1.418
H8	-0.883	-1.082	1.393
H9	-0.883	-1.082	-1.393
H10	1.858	-0.455	0.000
H11	1.031	-2.091	0.000

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11
C1		1.3370	1.5168	2.0804	2.4738	1.0833	2.2282	2.3382	3.0320	2.6906	3.4673
C2	1.3370		2.0804	1.5168	2.4738	2.2282	1.0833	3.0320	2.3382	2.6906	3.4673
C3	1.5168	2.0804		1.5163	1.5150	2.3813	3.1576	1.0815	2.3227	2.2566	2.2180
C4	2.0804	1.5168	1.5163		1.5150	3.1576	2.3813	2.3227	1.0815	2.2566	2.2180
C5	2.4738	2.4738	1.5150	1.5150		3.3374	3.3374	2.2835	2.2835	1.0858	1.0878
H6	1.0833	2.2282	2.3813	3.1576	3.3374		2.8357	3.0025	4.1129	3.3382	4.3217
H7	2.2282	1.0833	3.1576	2.3813	3.3374	2.8357		4.1129	3.0025	3.3382	4.3217
H8	2.3382	3.0320	1.0815	2.3227	2.2835	3.0025	4.1129		2.7864	3.1387	2.5736
H9	3.0320	2.3382	2.3227	1.0815	2.2835	4.1129	3.0025	2.7864		3.1387	2.5736
H10	2.6906	2.6906	2.2566	2.2566	1.0858	3.3382	3.3382	3.1387	3.1387		1.8338
H11	3.4673	3.4673	2.2180	2.2180	1.0878	4.3217	4.3217	2.5736	2.5736	1.8338

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	93.388	C1	C2	H7	133.767
C1	C3	C4	86.612	C1	C3	C5	109.369
C1	C3	H8	127.497	C2	C1	C3	93.388
C2	C1	H6	133.767	C2	C4	C3	86.612
C2	C4	C5	109.369	C2	C4	H9	127.497
C3	C1	H6	131.948	C3	C4	C5	59.971
C3	C4	H9	125.957	C3	C5	C4	60.059
C3	C5	H10	119.457	C3	C5	H11	115.926
C4	C2	H7	131.948	C4	C3	C5	59.971
C4	C3	H8	125.957	C4	C5	H10	119.457
C4	C5	H11	115.926	C5	C3	H8	122.267
C5	C4	H9	122.267	H10	C5	H11	115.057

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

using model chemistry: wB97X-D/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	-0.090
2	C	-0.090
3	C	-0.179
4	C	-0.179
5	C	-0.188
6	H	0.102
7	H	0.102
8	H	0.130
9	H	0.130
10	H	0.131
11	H	0.129

	x	y	z	Total
	0.145	-0.368	0.000	0.396
CHELPG
AIM
ESP

	x	y	z
x	5.975	-0.463	0.000
y	-0.463	7.919	0.000
z	0.000	0.000	7.618

<r²>	87.223
(<r²>)^1/2	9.339

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

using model chemistry: wB97X-D/6-311G**

States and conformations

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