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	hartrees
Energy at 0K	-154.924992
Energy at 298.15K	-154.931025
Nuclear repulsion energy	110.050371

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3276	2976	14.72
2	A₁	3254	2956	16.61
3	A₁	1977	1796	7.79
4	A₁	1608	1461	0.84
5	A₁	1557	1414	0.70
6	A₁	1157	1051	0.01
7	A₁	1129	1025	5.04
8	A₁	795	722	10.63
9	A₂	3324	3020	0.00
10	A₂	1269	1153	0.00
11	A₂	1036	942	0.00
12	A₂	669	607	0.00
13	B₁	3338	3033	28.22
14	B₁	1196	1087	2.26
15	B₁	1041	946	47.58
16	B₁	812	738	1.42
17	B₁	336	305	5.89
18	B₂	3357	3050	16.27
19	B₂	3248	2951	23.10
20	B₂	1566	1423	1.75
21	B₂	1236	1123	8.47
22	B₂	1189	1081	0.94
23	B₂	968	880	17.37
24	B₂	383	348	0.20

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	1.626
C2	0.000	0.000	0.319
H3	0.000	0.920	2.184
H4	0.000	-0.920	2.184
C5	0.000	0.765	-0.928
C6	0.000	-0.765	-0.928
H7	0.907	1.265	-1.225
H8	-0.907	1.265	-1.225
H9	-0.907	-1.265	-1.225
H10	0.907	-1.265	-1.225

	C1	C2	H3	H4	C5	C6	H7	H8	H9	H10
C1		1.3070	1.0766	1.0766	2.6656	2.6656	3.2478	3.2478	3.2478	3.2478
C2	1.3070		2.0804	2.0804	1.4624	1.4624	2.1920	2.1920	2.1920	2.1920
H3	1.0766	2.0804		1.8404	3.1161	3.5392	3.5446	3.5446	4.1498	4.1498
H4	1.0766	2.0804	1.8404		3.5392	3.1161	4.1498	4.1498	3.5446	3.5446
C5	2.6656	1.4624	3.1161	3.5392		1.5298	1.0772	1.0772	2.2431	2.2431
C6	2.6656	1.4624	3.5392	3.1161	1.5298		2.2431	2.2431	1.0772	1.0772
H7	3.2478	2.1920	3.5446	4.1498	1.0772	2.2431		1.8132	3.1129	2.5304
H8	3.2478	2.1920	3.5446	4.1498	1.0772	2.2431	1.8132		2.5304	3.1129
H9	3.2478	2.1920	4.1498	3.5446	2.2431	1.0772	3.1129	2.5304		1.8132
H10	3.2478	2.1920	4.1498	3.5446	2.2431	1.0772	2.5304	3.1129	1.8132

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C5	148.464	C1	C2	C6	148.464
C2	C1	H3	121.268	C2	C1	H4	121.268
C2	C5	C6	58.464	C2	C5	H7	118.549
C2	C5	H8	118.549	C2	C6	C5	58.464
C2	C6	H9	118.549	C2	C6	H10	118.549
H3	C1	H4	117.463	C5	C2	C6	63.073
C5	C6	H9	117.672	C5	C6	H10	117.672
C6	C5	H7	117.672	C6	C5	H8	117.672
H7	C5	H8	114.620	H9	C6	H10	114.620

All results from a given calculation for C₄H₆ (Methylenecyclopropane)

using model chemistry: HF/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	-0.219
2	C	-0.061
3	H	0.107
4	H	0.107
5	C	-0.213
6	C	-0.213
7	H	0.123
8	H	0.123
9	H	0.123
10	H	0.123

<r²>	76.302
(<r²>)^1/2	8.735

All results from a given calculation for C4H6 (Methylenecyclopropane)

using model chemistry: HF/6-311G**

States and conformations

All results from a given calculation for C₄H₆ (Methylenecyclopropane)