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	hartrees
Energy at 0K	-193.892015
Energy at 298.15K	-193.898159
HF Energy	-193.892015
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3163	3101	13.73
2	A'	3151	3089	71.63
3	A'	3140	3078	3.99
4	A'	3052	2992	46.10
5	A'	1575	1545	5.58
6	A'	1470	1442	0.58
7	A'	1277	1252	0.65
8	A'	1192	1168	1.51
9	A'	1102	1080	1.40
10	A'	1025	1005	1.95
11	A'	955	936	2.48
12	A'	854	837	3.49
13	A'	796	780	0.40
14	A'	717	703	56.70
15	A'	413	405	5.80
16	A"	3150	3088	29.94
17	A"	3119	3058	16.85
18	A"	1296	1271	19.69
19	A"	1203	1179	0.11
20	A"	1066	1045	5.39
21	A"	1032	1012	1.19
22	A"	1021	1001	2.93
23	A"	934	916	2.97
24	A"	859	842	6.25
25	A"	816	800	3.54
26	A"	774	759	29.27
27	A"	447	439	1.74

Atom	x (Å)	y (Å)	z (Å)
C1	-0.268	1.061	0.676
C2	-0.268	1.061	-0.676
C3	-0.268	-0.461	0.762
C4	-0.268	-0.461	-0.762
C5	0.925	-1.018	0.000
H6	-0.110	1.832	1.433
H7	-0.110	1.832	-1.433
H8	-0.892	-1.088	1.399
H9	-0.892	-1.088	-1.399
H10	1.869	-0.468	0.000
H11	1.028	-2.109	0.000

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11
C1		1.3528	1.5245	2.0945	2.4910	1.0916	2.2512	2.3510	3.0515	2.7137	3.4906
C2	1.3528		2.0945	1.5245	2.4910	2.2512	1.0916	3.0515	2.3510	2.7137	3.4906
C3	1.5245	2.0945		1.5249	1.5219	2.3944	3.1784	1.0892	2.3349	2.2697	2.2307
C4	2.0945	1.5245	1.5249		1.5219	3.1784	2.3944	2.3349	1.0892	2.2697	2.2307
C5	2.4910	2.4910	1.5219	1.5219		3.3538	3.3538	2.2942	2.2942	1.0932	1.0952
H6	1.0916	2.2512	2.3944	3.1784	3.3538		2.8652	3.0230	4.1416	3.3553	4.3446
H7	2.2512	1.0916	3.1784	2.3944	3.3538	2.8652		4.1416	3.0230	3.3553	4.3446
H8	2.3510	3.0515	1.0892	2.3349	2.2942	3.0230	4.1416		2.7972	3.1570	2.5856
H9	3.0515	2.3510	2.3349	1.0892	2.2942	4.1416	3.0230	2.7972		3.1570	2.5856
H10	2.7137	2.7137	2.2697	2.2697	1.0932	3.3553	3.3553	3.1570	3.1570		1.8442
H11	3.4906	3.4906	2.2307	2.2307	1.0952	4.3446	4.3446	2.5856	2.5856	1.8442

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	93.226	C1	C2	H7	133.810
C1	C3	C4	86.774	C1	C3	C5	109.811
C1	C3	H8	127.348	C2	C1	C3	93.226
C2	C1	H6	133.810	C2	C4	C3	86.774
C2	C4	C5	109.811	C2	C4	H9	127.348
C3	C1	H6	131.783	C3	C4	C5	59.936
C3	C4	H9	125.857	C3	C5	C4	60.128
C3	C5	H10	119.508	C3	C5	H11	116.026
C4	C2	H7	131.783	C4	C3	C5	59.936
C4	C3	H8	125.857	C4	C5	H10	119.508
C4	C5	H11	116.026	C5	C3	H8	122.005
C5	C4	H9	122.005	H10	C5	H11	114.849

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

using model chemistry: B97D3/6-31G*

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	-0.117
2	C	-0.117
3	C	-0.158
4	C	-0.158
5	C	-0.309
6	H	0.127
7	H	0.127
8	H	0.148
9	H	0.148
10	H	0.158
11	H	0.150

	x	y	z
x	5.409	-0.436	0.000
y	-0.436	7.863	0.000
z	0.000	0.000	7.208

<r²>	87.871
(<r²>)^1/2	9.374

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

using model chemistry: B97D3/6-31G*

States and conformations

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