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	hartrees
Energy at 0K	-155.918639
Energy at 298.15K	-155.924769
Nuclear repulsion energy	112.277211

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3104	3097	38.62
2	A₁	2955	2948	62.28
3	A₁	1579	1575	1.06
4	A₁	1462	1459	0.18
5	A₁	1176	1173	2.23
6	A₁	1096	1093	0.03
7	A₁	966	964	0.02
8	A₁	850	848	1.25
9	A₂	2981	2973	0.00
10	A₂	1142	1139	0.00
11	A₂	1015	1012	0.00
12	A₂	885	883	0.00
13	A₂	318	317	0.00
14	B₁	2996	2989	79.35
15	B₁	1074	1071	4.00
16	B₁	846	844	13.90
17	B₁	625	624	50.25
18	B₂	3073	3065	31.19
19	B₂	2950	2942	58.19
20	B₂	1446	1442	0.35
21	B₂	1277	1274	13.33
22	B₂	1199	1196	4.33
23	B₂	865	863	12.89
24	B₂	845	843	0.18

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.674	0.820
C2	0.000	-0.674	0.820
C3	0.000	0.793	-0.705
C4	0.000	-0.793	-0.705
H5	0.000	1.426	1.613
H6	0.000	-1.426	1.613
H7	0.894	1.256	-1.153
H8	-0.894	-1.256	-1.153
H9	-0.894	1.256	-1.153
H10	0.894	-1.256	-1.153

	C1	C2	C3	C4	H5	H6	H7	H8	H9	H10
C1		1.3479	1.5291	2.1157	1.0928	2.2444	2.2426	2.9009	2.2426	2.9009
C2	1.3479		2.1157	1.5291	2.2444	1.0928	2.9009	2.2426	2.9009	2.2426
C3	1.5291	2.1157		1.5860	2.4025	3.2084	1.1017	2.2798	1.1017	2.2798
C4	2.1157	1.5291	1.5860		3.2084	2.4025	2.2798	1.1017	2.2798	1.1017
H5	1.0928	2.2444	2.4025	3.2084		2.8513	2.9117	3.9548	2.9117	3.9548
H6	2.2444	1.0928	3.2084	2.4025	2.8513		3.9548	2.9117	3.9548	2.9117
H7	2.2426	2.9009	1.1017	2.2798	2.9117	3.9548		3.0827	1.7870	2.5119
H8	2.9009	2.2426	2.2798	1.1017	3.9548	2.9117	3.0827		2.5119	1.7870
H9	2.2426	2.9009	1.1017	2.2798	2.9117	3.9548	1.7870	2.5119		3.0827
H10	2.9009	2.2426	2.2798	1.1017	3.9548	2.9117	2.5119	1.7870	3.0827

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	94.465	C1	C2	H6	133.461
C1	C3	C4	85.535	C1	C3	H7	116.006
C1	C3	H9	116.006	C2	C1	C3	94.465
C2	C1	H5	133.461	C2	C4	C3	85.535
C2	C4	H8	116.006	C2	C4	H10	116.006
C3	C1	H5	132.074	C3	C4	H8	114.849
C3	C4	H10	114.849	C4	C2	H6	132.074
C4	C3	H7	114.849	C4	C3	H9	114.849
H7	C3	H9	108.393	H8	C4	H10	108.393

All results from a given calculation for C₄H₆ (Cyclobutene)

using model chemistry: BLYP/6-311G*

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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Number	Element	Mulliken
1	C	-0.157
2	C	-0.157
3	C	-0.395
4	C	-0.395
5	H	0.162
6	H	0.162
7	H	0.195
8	H	0.195
9	H	0.195
10	H	0.195

<r²>	66.921
(<r²>)^1/2	8.181

All results from a given calculation for C4H6 (Cyclobutene)

using model chemistry: BLYP/6-311G*

States and conformations

All results from a given calculation for C₄H₆ (Cyclobutene)