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	hartrees
Energy at 0K	-25.354504
Energy at 298.15K	-25.360450
Nuclear repulsion energy	58.543393

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3329	2989	21.41
2	A₁	3309	2971	29.26
3	A₁	1999	1795	5.97
4	A₁	1616	1451	0.87
5	A₁	1552	1394	0.14
6	A₁	1156	1038	1.30
7	A₁	1129	1014	4.36
8	A₁	792	711	13.41
9	A₂	3388	3042	0.00
10	A₂	1262	1133	0.00
11	A₂	1014	911	0.00
12	A₂	648	582	0.00
13	B₁	3403	3055	54.88
14	B₁	1186	1065	4.79
15	B₁	1012	909	66.37
16	B₁	792	711	1.38
17	B₁	341	306	6.79
18	B₂	3403	3056	24.88
19	B₂	3303	2966	38.95
20	B₂	1567	1408	0.33
21	B₂	1217	1093	9.94
22	B₂	1172	1053	3.16
23	B₂	965	867	15.60
24	B₂	359	323	0.28

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	1.666
C2	0.000	0.000	0.326
H3	0.000	0.928	2.224
H4	0.000	-0.928	2.224
C5	0.000	0.775	-0.935
C6	0.000	-0.775	-0.935
H7	0.913	1.276	-1.233
H8	-0.913	1.276	-1.233
H9	-0.913	-1.276	-1.233
H10	0.913	-1.276	-1.233

	C1	C2	H3	H4	C5	C6	H7	H8	H9	H10
C1		1.3400	1.0830	1.0830	2.7147	2.7147	3.2968	3.2968	3.2968	3.2968
C2	1.3400		2.1128	2.1128	1.4808	1.4808	2.2123	2.2123	2.2123	2.2123
H3	1.0830	2.1128		1.8563	3.1634	3.5896	3.5930	3.5930	4.2009	4.2009
H4	1.0830	2.1128	1.8563		3.5896	3.1634	4.2009	4.2009	3.5930	3.5930
C5	2.7147	1.4808	3.1634	3.5896		1.5505	1.0831	1.0831	2.2650	2.2650
C6	2.7147	1.4808	3.5896	3.1634	1.5505		2.2650	2.2650	1.0831	1.0831
H7	3.2968	2.2123	3.5930	4.2009	1.0831	2.2650		1.8259	3.1381	2.5523
H8	3.2968	2.2123	3.5930	4.2009	1.0831	2.2650	1.8259		2.5523	3.1381
H9	3.2968	2.2123	4.2009	3.5930	2.2650	1.0831	3.1381	2.5523		1.8259
H10	3.2968	2.2123	4.2009	3.5930	2.2650	1.0831	2.5523	3.1381	1.8259

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C5	148.429	C1	C2	C6	148.429
C2	C1	H3	121.018	C2	C1	H4	121.018
C2	C5	C6	58.429	C2	C5	H7	118.454
C2	C5	H8	118.454	C2	C6	C5	58.429
C2	C6	H9	118.454	C2	C6	H10	118.454
H3	C1	H4	117.964	C5	C2	C6	63.141
C5	C6	H9	117.545	C5	C6	H10	117.545
C6	C5	H7	117.545	C6	C5	H8	117.545
H7	C5	H8	114.896	H9	C6	H10	114.896

All results from a given calculation for C₄H₆ (Methylenecyclopropane)

using model chemistry: HF/CEP-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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Number	Element	Mulliken
1	C	-0.003
2	C	0.056
3	H	0.186
4	H	0.186
5	C	-0.506
6	C	-0.506
7	H	0.146
8	H	0.146
9	H	0.146
10	H	0.146

<r²>	66.353
(<r²>)^1/2	8.146

All results from a given calculation for C4H6 (Methylenecyclopropane)

using model chemistry: HF/CEP-31G*

States and conformations

All results from a given calculation for C₄H₆ (Methylenecyclopropane)