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	hartrees
Energy at 0K	-193.919938
Energy at 298.15K	-193.926019
HF Energy	-193.919938
Nuclear repulsion energy	158.710567

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3131	3106	7.01
2	A'	3124	3098	70.82
3	A'	3110	3084	3.68
4	A'	3027	3003	41.49
5	A'	1558	1546	5.41
6	A'	1460	1448	0.42
7	A'	1254	1244	0.47
8	A'	1172	1163	1.47
9	A'	1088	1079	1.30
10	A'	1012	1003	1.72
11	A'	940	933	2.48
12	A'	823	817	3.87
13	A'	784	777	0.07
14	A'	715	709	51.54
15	A'	408	405	4.43
16	A"	3117	3092	29.11
17	A"	3095	3070	12.02
18	A"	1284	1274	17.56
19	A"	1193	1184	0.06
20	A"	1060	1051	4.43
21	A"	1016	1008	2.54
22	A"	1011	1003	1.25
23	A"	915	908	3.52
24	A"	841	834	8.53
25	A"	803	796	1.53
26	A"	759	753	23.86
27	A"	441	437	2.01

Atom	x (Å)	y (Å)	z (Å)
C1	-0.266	1.069	0.676
C2	-0.266	1.069	-0.676
C3	-0.266	-0.467	0.765
C4	-0.266	-0.467	-0.765
C5	0.930	-1.026	0.000
H6	-0.176	1.839	1.448
H7	-0.176	1.839	-1.448
H8	-0.879	-1.070	1.438
H9	-0.879	-1.070	-1.438
H10	1.885	-0.488	0.000
H11	1.034	-2.119	0.000

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11
C1		1.3523	1.5382	2.1060	2.5053	1.0937	2.2609	2.3521	3.0694	2.7404	3.5088
C2	1.3523		2.1060	1.5382	2.5053	2.2609	1.0937	3.0694	2.3521	2.7404	3.5088
C3	1.5382	2.1060		1.5301	1.5263	2.4063	3.1969	1.0920	2.3648	2.2837	2.2375
C4	2.1060	1.5382	1.5301		1.5263	3.1969	2.4063	2.3648	1.0920	2.2837	2.2375
C5	2.5053	2.5053	1.5263	1.5263		3.3948	3.3948	2.3115	2.3115	1.0962	1.0984
H6	1.0937	2.2609	2.4063	3.1969	3.3948		2.8952	2.9932	4.1575	3.4287	4.3846
H7	2.2609	1.0937	3.1969	2.4063	3.3948	2.8952		4.1575	2.9932	3.4287	4.3846
H8	2.3521	3.0694	1.0920	2.3648	2.3115	2.9932	4.1575		2.8756	3.1699	2.6128
H9	3.0694	2.3521	2.3648	1.0920	2.3115	4.1575	2.9932	2.8756		3.1699	2.6128
H10	2.7404	2.7404	2.2837	2.2837	1.0962	3.4287	3.4287	3.1699	3.1699		1.8403
H11	3.5088	3.5088	2.2375	2.2375	1.0984	4.3846	4.3846	2.6128	2.6128	1.8403

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	93.313	C1	C2	H7	134.856
C1	C3	C4	86.687	C1	C3	C5	109.671
C1	C3	H8	125.982	C2	C1	C3	93.313
C2	C1	H6	134.856	C2	C4	C3	86.687
C2	C4	C5	109.671	C2	C4	H9	125.982
C3	C1	H6	131.458	C3	C4	C5	59.918
C3	C4	H9	128.032	C3	C5	C4	60.164
C3	C5	H10	120.218	C3	C5	H11	116.012
C4	C2	H7	131.458	C4	C3	C5	59.918
C4	C3	H8	128.032	C4	C5	H10	120.218
C4	C5	H11	116.012	C5	C3	H8	123.108
C5	C4	H9	123.108	H10	C5	H11	113.982

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

using model chemistry: BLYP/6-31G*

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	-0.089
2	C	-0.089
3	C	-0.123
4	C	-0.123
5	C	-0.272
6	H	0.098
7	H	0.098
8	H	0.119
9	H	0.119
10	H	0.134
11	H	0.126

	x	y	z
x	5.433	-0.445	0.000
y	-0.445	7.932	0.000
z	0.000	0.000	7.228

<r²>	88.791
(<r²>)^1/2	9.423

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

using model chemistry: BLYP/6-31G*

States and conformations

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