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	hartrees
Energy at 0K	-192.744070
Energy at 298.15K	-192.750645
Nuclear repulsion energy	161.182877

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3379	3056	17.92
2	A	3360	3039	56.34
3	A	3342	3023	9.05
4	A	3255	2944	45.98
5	A	1749	1582	7.61
6	A	1616	1461	1.31
7	A	1423	1287	0.24
8	A	1306	1181	1.00
9	A	1199	1084	2.07
10	A	1112	1005	2.27
11	A	1040	941	4.02
12	A	967	875	3.63
13	A	870	787	0.13
14	A	819	741	81.11
15	A	464	420	7.13
16	A	3351	3031	40.29
17	A	3340	3020	0.56
18	A	1444	1306	23.35
19	A	1338	1210	0.08
20	A	1202	1087	2.46
21	A	1157	1046	8.20
22	A	1143	1034	0.11
23	A	1043	944	12.98
24	A	983	889	2.96
25	A	903	817	0.78
26	A	845	764	39.57
27	A	497	449	1.88

Atom	x (Å)	y (Å)	z (Å)
C1	-0.265	1.054	0.662
C2	-0.265	1.054	-0.662
C3	-0.265	-0.462	0.754
C4	-0.265	-0.462	-0.754
C5	0.921	-1.009	0.000
H6	-0.143	1.821	1.406
H7	-0.143	1.821	-1.406
H8	-0.874	-1.071	1.395
H9	-0.874	-1.071	-1.395
H10	1.852	-0.469	0.000
H11	1.022	-2.084	0.000

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11
C1		1.3248	1.5190	2.0750	2.4705	1.0749	2.2090	2.3292	3.0200	2.6914	3.4561
C2	1.3248		2.0750	1.5190	2.4705	2.2090	1.0749	3.0200	2.3292	2.6914	3.4561
C3	1.5190	2.0750		1.5084	1.5083	2.3775	3.1453	1.0735	2.3152	2.2477	2.2040
C4	2.0750	1.5190	1.5084		1.5083	3.1453	2.3775	2.3152	1.0735	2.2477	2.2040
C5	2.4705	2.4705	1.5083	1.5083		3.3347	3.3347	2.2741	2.2741	1.0765	1.0794
H6	1.0749	2.2090	2.3775	3.1453	3.3347		2.8111	2.9835	4.0918	3.3474	4.3111
H7	2.2090	1.0749	3.1453	2.3775	3.3347	2.8111		4.0918	2.9835	3.3474	4.3111
H8	2.3292	3.0200	1.0735	2.3152	2.2741	2.9835	4.0918		2.7894	3.1210	2.5628
H9	3.0200	2.3292	2.3152	1.0735	2.2741	4.0918	2.9835	2.7894		3.1210	2.5628
H10	2.6914	2.6914	2.2477	2.2477	1.0765	3.3474	3.3474	3.1210	3.1210		1.8152
H11	3.4561	3.4561	2.2040	2.2040	1.0794	4.3111	4.3111	2.5628	2.5628	1.8152

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	93.465	C1	C2	H7	133.736
C1	C3	C4	86.535	C1	C3	C5	109.387
C1	C3	H8	127.055	C2	C1	C3	93.465
C2	C1	H6	133.736	C2	C4	C3	86.535
C2	C4	C5	109.387	C2	C4	H9	127.055
C3	C1	H6	132.105	C3	C4	C5	59.997
C3	C4	H9	126.631	C3	C5	C4	60.005
C3	C5	H10	119.892	C3	C5	H11	115.803
C4	C2	H7	132.105	C4	C3	C5	59.997
C4	C3	H8	126.631	C4	C5	H10	119.892
C4	C5	H11	115.803	C5	C3	H8	122.584
C5	C4	H9	122.584	H10	C5	H11	114.694

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

using model chemistry: HF/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	CHELPG	ESP
1	C	-0.189	-0.193	-0.273
2	C	-0.189	-0.193	-0.273
3	C	-0.257	0.047	0.043
4	C	-0.257	0.047	0.043
5	C	-0.388	-0.303	-0.440
6	H	0.203	0.136	0.195
7	H	0.203	0.136	0.195
8	H	0.217	0.044	0.081
9	H	0.217	0.044	0.081
10	H	0.219	0.118	0.186
11	H	0.222	0.118	0.163

	x	y	z	Total
	0.145	-0.301	0.000	0.334
CHELPG
AIM
ESP	0.142	-0.288	0.000	0.321

	x	y	z
x	5.718	-0.451	0.000
y	-0.451	7.455	0.000
z	0.000	0.000	7.462

<r²>	87.050
(<r²>)^1/2	9.330

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

using model chemistry: HF/6-311G*

States and conformations

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