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	hartrees
Energy at 0K	-192.075086
Energy at 298.15K	-192.081344
Nuclear repulsion energy	157.817826

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3305	3133	3.63
2	A	3272	3102	23.52
3	A	3270	3100	3.77
4	A	3166	3001	16.12
5	A	1545	1465	2.29
6	A	1517	1438	2.30
7	A	1289	1222	1.22
8	A	1174	1113	2.36
9	A	1121	1063	3.97
10	A	1022	969	0.51
11	A	952	903	2.32
12	A	917	869	6.87
13	A	794	753	13.18
14	A	744	705	58.65
15	A	441	418	7.11
16	A	3289	3118	4.30
17	A	3237	3068	7.63
18	A	1328	1259	22.84
19	A	1269	1203	0.10
20	A	1161	1101	5.93
21	A	1104	1047	9.98
22	A	1080	1024	0.16
23	A	917	869	11.93
24	A	849	805	1.01
25	A	840	796	0.07
26	A	764	724	19.38
27	A	453	429	2.62

Atom	x (Å)	y (Å)	z (Å)
C1	-0.277	1.067	0.683
C2	-0.277	1.067	-0.683
C3	-0.277	-0.481	0.784
C4	-0.277	-0.481	-0.784
C5	0.951	-1.004	0.000
H6	-0.127	1.838	1.426
H7	-0.127	1.838	-1.426
H8	-0.873	-1.096	1.438
H9	-0.873	-1.096	-1.438
H10	1.859	-0.412	0.000
H11	1.086	-2.083	0.000

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11
C1		1.3653	1.5509	2.1320	2.5022	1.0816	2.2505	2.3676	3.0876	2.6864	3.4997
C2	1.3653		2.1320	1.5509	2.5022	2.2505	1.0816	3.0876	2.3676	2.6864	3.4997
C3	1.5509	2.1320		1.5674	1.5477	2.4106	3.2066	1.0782	2.3815	2.2765	2.2451
C4	2.1320	1.5509	1.5674		1.5477	3.2066	2.4106	2.3815	1.0782	2.2765	2.2451
C5	2.5022	2.5022	1.5477	1.5477		3.3572	3.3572	2.3246	2.3246	1.0840	1.0882
H6	1.0816	2.2505	2.4106	3.2066	3.3572		2.8528	3.0274	4.1679	3.3230	4.3453
H7	2.2505	1.0816	3.2066	2.4106	3.3572	2.8528		4.1679	3.0274	3.3230	4.3453
H8	2.3676	3.0876	1.0782	2.3815	2.3246	3.0274	4.1679		2.8766	3.1626	2.6231
H9	3.0876	2.3676	2.3815	1.0782	2.3246	4.1679	3.0274	2.8766		3.1626	2.6231
H10	2.6864	2.6864	2.2765	2.2765	1.0840	3.3230	3.3230	3.1626	3.1626		1.8416
H11	3.4997	3.4997	2.2451	2.2451	1.0882	4.3453	4.3453	2.6231	2.6231	1.8416

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	93.735	C1	C2	H7	133.443
C1	C3	C4	86.265	C1	C3	C5	107.708
C1	C3	H8	127.535	C2	C1	C3	93.735
C2	C1	H6	133.443	C2	C4	C3	86.265
C2	C4	C5	107.708	C2	C4	H9	127.535
C3	C1	H6	131.791	C3	C4	C5	59.578
C3	C4	H9	127.379	C3	C5	C4	60.844
C3	C5	H10	118.713	C3	C5	H11	115.703
C4	C2	H7	131.791	C4	C3	C5	59.578
C4	C3	H8	127.379	C4	C5	H10	118.713
C4	C5	H11	115.703	C5	C3	H8	123.576
C5	C4	H9	123.576	H10	C5	H11	115.947

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

using model chemistry: MP2=FULL/3-21G*

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: MP2=FULL/3-21G*

States and conformations

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