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	hartrees
Energy at 0K	-192.769169
Energy at 298.15K	-192.775759
HF Energy	-192.769169
Nuclear repulsion energy	161.412384

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3372	3063	11.38
2	A	3353	3046	32.11
3	A	3333	3028	8.46
4	A	3245	2948	35.15
5	A	1742	1583	11.76
6	A	1607	1460	1.77
7	A	1412	1283	0.42
8	A	1300	1181	0.93
9	A	1196	1086	2.35
10	A	1106	1005	2.42
11	A	1036	942	4.36
12	A	968	880	3.16
13	A	869	789	0.39
14	A	823	748	86.63
15	A	467	425	7.16
16	A	3345	3039	24.72
17	A	3334	3029	0.09
18	A	1438	1306	24.90
19	A	1337	1215	0.00
20	A	1208	1097	1.86
21	A	1154	1048	9.30
22	A	1139	1035	0.47
23	A	1047	951	12.61
24	A	978	889	1.73
25	A	904	821	0.49
26	A	843	766	39.78
27	A	497	451	1.63

Atom	x (Å)	y (Å)	z (Å)
C1	-0.263	1.051	0.657
C2	-0.263	1.051	-0.657
C3	-0.263	-0.466	0.754
C4	-0.263	-0.466	-0.754
C5	0.924	-1.000	0.000
H6	-0.210	1.805	1.417
H7	-0.210	1.805	-1.417
H8	-0.860	-1.046	1.428
H9	-0.860	-1.046	-1.428
H10	1.857	-0.461	0.000
H11	1.044	-2.071	0.000

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11
C1		1.3144	1.5205	2.0720	2.4593	1.0722	2.2079	2.3129	3.0174	2.6852	3.4481
C2	1.3144		2.0720	1.5205	2.4593	2.2079	1.0722	3.0174	2.3129	2.6852	3.4481
C3	1.5205	2.0720		1.5074	1.5041	2.3674	3.1428	1.0716	2.3355	2.2498	2.2028
C4	2.0720	1.5205	1.5074		1.5041	3.1428	2.3674	2.3355	1.0716	2.2498	2.2028
C5	2.4593	2.4593	1.5041	1.5041		3.3415	3.3415	2.2865	2.2865	1.0775	1.0780
H6	1.0722	2.2079	2.3674	3.1428	3.3415		2.8343	2.9249	4.0807	3.3786	4.3141
H7	2.2079	1.0722	3.1428	2.3674	3.3415	2.8343		4.0807	2.9249	3.3786	4.3141
H8	2.3129	3.0174	1.0716	2.3355	2.2865	2.9249	4.0807		2.8568	3.1254	2.5922
H9	3.0174	2.3129	2.3355	1.0716	2.2865	4.0807	2.9249	2.8568		3.1254	2.5922
H10	2.6852	2.6852	2.2498	2.2498	1.0775	3.3786	3.3786	3.1254	3.1254		1.8043
H11	3.4481	3.4481	2.2028	2.2028	1.0780	4.3141	4.3141	2.5922	2.5922	1.8043

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	93.639	C1	C2	H7	135.134
C1	C3	C4	86.361	C1	C3	C5	108.802
C1	C3	H8	125.434	C2	C1	C3	93.639
C2	C1	H6	135.134	C2	C4	C3	86.361
C2	C4	C5	108.802	C2	C4	H9	125.434
C3	C1	H6	131.095	C3	C4	C5	59.926
C3	C4	H9	129.019	C3	C5	C4	60.148
C3	C5	H10	120.367	C3	C5	H11	116.125
C4	C2	H7	131.095	C4	C3	C5	59.926
C4	C3	H8	129.019	C4	C5	H10	120.367
C4	C5	H11	116.125	C5	C3	H8	124.318
C5	C4	H9	124.318	H10	C5	H11	113.668

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

using model chemistry: HF/TZVP

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	-0.201
2	C	-0.201
3	C	-0.012
4	C	-0.012
5	C	-0.311
6	H	0.117
7	H	0.117
8	H	0.146
9	H	0.146
10	H	0.109
11	H	0.101

	x	y	z	Total
	0.183	-0.371	0.000	0.414
CHELPG
AIM
ESP

	x	y	z
x	6.366	-0.448	0.000
y	-0.448	7.798	0.000
z	0.000	0.000	7.837

<r²>	86.878
(<r²>)^1/2	9.321

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

using model chemistry: HF/TZVP

States and conformations

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