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	hartrees
Energy at 0K	-155.888903
Energy at 298.15K	-155.895149
Nuclear repulsion energy	113.660393

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3250	3086	25.94
2	A₁	3088	2931	44.10
3	A₁	1684	1599	0.75
4	A₁	1519	1442	0.01
5	A₁	1244	1181	1.42
6	A₁	1162	1103	0.02
7	A₁	1026	974	0.03
8	A₁	932	885	1.33
9	A₂	3125	2967	0.00
10	A₂	1187	1127	0.00
11	A₂	1050	997	0.00
12	A₂	949	901	0.00
13	A₂	315	299	0.00
14	B₁	3139	2980	54.41
15	B₁	1117	1060	4.03
16	B₁	885	840	13.61
17	B₁	657	623	44.16
18	B₂	3218	3055	17.83
19	B₂	3081	2925	44.02
20	B₂	1495	1419	0.06
21	B₂	1351	1283	12.29
22	B₂	1248	1185	3.83
23	B₂	930	883	13.38
24	B₂	858	814	1.57

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.668	0.809
C2	0.000	-0.668	0.809
C3	0.000	0.779	-0.694
C4	0.000	-0.779	-0.694
H5	0.000	1.418	1.593
H6	0.000	-1.418	1.593
H7	0.888	1.238	-1.140
H8	-0.888	-1.238	-1.140
H9	-0.888	1.238	-1.140
H10	0.888	-1.238	-1.140

	C1	C2	C3	C4	H5	H6	H7	H8	H9	H10
C1		1.3356	1.5075	2.0864	1.0850	2.2281	2.2163	2.8666	2.2163	2.8666
C2	1.3356		2.0864	1.5075	2.2281	1.0850	2.8666	2.2163	2.8666	2.2163
C3	1.5075	2.0864		1.5576	2.3751	3.1714	1.0942	2.2477	1.0942	2.2477
C4	2.0864	1.5075	1.5576		3.1714	2.3751	2.2477	1.0942	2.2477	1.0942
H5	1.0850	2.2281	2.3751	3.1714		2.8355	2.8794	3.9127	2.8794	3.9127
H6	2.2281	1.0850	3.1714	2.3751	2.8355		3.9127	2.8794	3.9127	2.8794
H7	2.2163	2.8666	1.0942	2.2477	2.8794	3.9127		3.0461	1.7755	2.4751
H8	2.8666	2.2163	2.2477	1.0942	3.9127	2.8794	3.0461		2.4751	1.7755
H9	2.2163	2.8666	1.0942	2.2477	2.8794	3.9127	1.7755	2.4751		3.0461
H10	2.8666	2.2163	2.2477	1.0942	3.9127	2.8794	2.4751	1.7755	3.0461

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	94.221	C1	C2	H6	133.726
C1	C3	C4	85.779	C1	C3	H7	115.918
C1	C3	H9	115.918	C2	C1	C3	94.221
C2	C1	H5	133.726	C2	C4	C3	85.779
C2	C4	H8	115.918	C2	C4	H10	115.918
C3	C1	H5	132.053	C3	C4	H8	114.788
C3	C4	H10	114.788	C4	C2	H6	132.053
C4	C3	H7	114.788	C4	C3	H9	114.788
H7	C3	H9	108.457	H8	C4	H10	108.457

All results from a given calculation for C₄H₆ (Cyclobutene)

using model chemistry: B1B95/6-31G*

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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Number	Element	Mulliken
1	C	-0.127
2	C	-0.127
3	C	-0.347
4	C	-0.347
5	H	0.144
6	H	0.144
7	H	0.165
8	H	0.165
9	H	0.165
10	H	0.165

<r²>	65.088
(<r²>)^1/2	8.068

All results from a given calculation for C4H6 (Cyclobutene)

using model chemistry: B1B95/6-31G*

States and conformations

All results from a given calculation for C₄H₆ (Cyclobutene)