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	hartrees
Energy at 0K	-193.393182
Energy at 298.15K	-193.399499
HF Energy	-192.709107
Nuclear repulsion energy	159.964503

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3247	3092	8.28
2	A	3238	3083	39.77
3	A	3224	3071	3.73
4	A	3139	2989	25.09
5	A	1623	1546	3.59
6	A	1525	1453	0.85
7	A	1348	1283	0.37
8	A	1235	1176	1.41
9	A	1138	1084	1.28
10	A	1063	1013	1.61
11	A	988	941	3.04
12	A	909	866	3.51
13	A	836	796	0.13
14	A	749	713	59.69
15	A	435	414	5.75
16	A	3230	3076	19.03
17	A	3212	3059	5.39
18	A	1353	1289	19.74
19	A	1256	1196	0.25
20	A	1124	1070	4.87
21	A	1092	1040	5.36
22	A	1071	1020	1.62
23	A	971	925	1.72
24	A	888	846	9.96
25	A	838	798	5.09
26	A	808	770	24.25
27	A	464	442	1.89

Atom	x (Å)	y (Å)	z (Å)
C1	-0.268	1.057	0.675
C2	-0.268	1.057	-0.675
C3	-0.268	-0.462	0.761
C4	-0.268	-0.462	-0.761
C5	0.924	-1.011	0.000
H6	-0.119	1.827	1.429
H7	-0.119	1.827	-1.429
H8	-0.886	-1.083	1.404
H9	-0.886	-1.083	-1.404
H10	1.864	-0.460	0.000
H11	1.031	-2.098	0.000

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11
C1		1.3499	1.5219	2.0906	2.4802	1.0880	2.2453	2.3440	3.0470	2.7019	3.4775
C2	1.3499		2.0906	1.5219	2.4802	2.2453	1.0880	3.0470	2.3440	2.7019	3.4775
C3	1.5219	2.0906		1.5220	1.5164	2.3897	3.1718	1.0866	2.3353	2.2634	2.2225
C4	2.0906	1.5219	1.5220		1.5164	3.1718	2.3897	2.3353	1.0866	2.2634	2.2225
C5	2.4802	2.4802	1.5164	1.5164		3.3442	3.3442	2.2913	2.2913	1.0897	1.0919
H6	1.0880	2.2453	2.3897	3.1718	3.3442		2.8576	3.0101	4.1332	3.3472	4.3321
H7	2.2453	1.0880	3.1718	2.3897	3.3442	2.8576		4.1332	3.0101	3.3472	4.3321
H8	2.3440	3.0470	1.0866	2.3353	2.2913	3.0101	4.1332		2.8076	3.1495	2.5832
H9	3.0470	2.3440	2.3353	1.0866	2.2913	4.1332	3.0101	2.8076		3.1495	2.5832
H10	2.7019	2.7019	2.2634	2.2634	1.0897	3.3472	3.3472	3.1495	3.1495		1.8373
H11	3.4775	3.4775	2.2225	2.2225	1.0919	4.3321	4.3321	2.5832	2.5832	1.8373

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	93.241	C1	C2	H7	133.859
C1	C3	C4	86.759	C1	C3	C5	109.434
C1	C3	H8	127.156	C2	C1	C3	93.241
C2	C1	H6	133.859	C2	C4	C3	86.759
C2	C4	C5	109.434	C2	C4	H9	127.156
C3	C1	H6	131.884	C3	C4	C5	59.878
C3	C4	H9	126.269	C3	C5	C4	60.245
C3	C5	H10	119.669	C3	C5	H11	115.922
C4	C2	H7	131.884	C4	C3	C5	59.878
C4	C3	H8	126.269	C4	C5	H10	119.669
C4	C5	H11	115.922	C5	C3	H8	122.484
C5	C4	H9	122.484	H10	C5	H11	114.734

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

using model chemistry: QCISD/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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Calc. vs exp. Bad Vib. HF vs MP2 Bad scale factors Low excited states Oddities NaCN Is not linear FAQ Help Units Choose Units Energy Bond length Rotational Constant Moment of Inertia Dipole and Quadrupole Polarizability Explanations Hartree cm-1 Debye Credits Just show me Show me a calculated geometry Summary Using older interface Limit Basis sets Method options List Recent molecules Choose a few Molecules Number of atoms By heavy atoms Diatomics InChI Deuterated Dimers Geometry Point group Point group count Bonds types Isodesmic reactions Bad point group Multiple conformers, states Vibrations Big anharmonicity Energy Enthalpy at 0 Kelvin Similar molecules Similar Isomers Cis/trans Tautomers Multiple conformers, states Ions, Dipoles, etc. List Ions Ionization changes point group Dipole Quadrupole Polarizability Proton Affinities Index of CCCBDB Feedback Error form Wants
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All results from a given calculation for C5H6 (Bicyclo[2.1.0]pent-2-ene)

using model chemistry: QCISD/6-31G*

States and conformations

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