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	hartrees
Energy at 0K	-154.215184
Energy at 298.15K	-154.220936
Nuclear repulsion energy	109.132254

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3080	3025	1.21
2	A₁	3077	3022	6.62
3	A₁	1848	1815	5.90
4	A₁	1463	1437	0.01
5	A₁	1435	1409	5.05
6	A₁	1046	1027	7.99
7	A₁	1023	1005	16.87
8	A₁	732	719	4.11
9	A₂	3155	3099	0.00
10	A₂	1143	1122	0.00
11	A₂	950	933	0.00
12	A₂	620	608	0.00
13	B₁	3170	3113	3.38
14	B₁	1092	1073	0.62
15	B₁	910	894	56.18
16	B₁	756	743	3.81
17	B₁	317	311	5.95
18	B₂	3160	3103	6.02
19	B₂	3077	3022	2.87
20	B₂	1431	1405	7.35
21	B₂	1145	1124	16.75
22	B₂	1067	1048	8.45
23	B₂	893	877	8.98
24	B₂	363	357	1.16

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	1.632
C2	0.000	0.000	0.318
H3	0.000	0.934	2.204
H4	0.000	-0.934	2.204
C5	0.000	0.773	-0.931
C6	0.000	-0.773	-0.931
H7	0.923	1.278	-1.235
H8	-0.923	1.278	-1.235
H9	-0.923	-1.278	-1.235
H10	0.923	-1.278	-1.235

	C1	C2	H3	H4	C5	C6	H7	H8	H9	H10
C1		1.3141	1.0957	1.0957	2.6770	2.6770	3.2714	3.2714	3.2714	3.2714
C2	1.3141		2.1052	2.1052	1.4687	1.4687	2.2124	2.2124	2.2124	2.2124
H3	1.0957	2.1052		1.8687	3.1395	3.5700	3.5773	3.5773	4.1918	4.1918
H4	1.0957	2.1052	1.8687		3.5700	3.1395	4.1918	4.1918	3.5773	3.5773
C5	2.6770	1.4687	3.1395	3.5700		1.5456	1.0950	1.0950	2.2690	2.2690
C6	2.6770	1.4687	3.5700	3.1395	1.5456		2.2690	2.2690	1.0950	1.0950
H7	3.2714	2.2124	3.5773	4.1918	1.0950	2.2690		1.8461	3.1522	2.5551
H8	3.2714	2.2124	3.5773	4.1918	1.0950	2.2690	1.8461		2.5551	3.1522
H9	3.2714	2.2124	4.1918	3.5773	2.2690	1.0950	3.1522	2.5551		1.8461
H10	3.2714	2.2124	4.1918	3.5773	2.2690	1.0950	2.5551	3.1522	1.8461

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C5	148.251	C1	C2	C6	148.251
C2	C1	H3	121.491	C2	C1	H4	121.491
C2	C5	C6	58.251	C2	C5	H7	118.580
C2	C5	H8	118.580	C2	C6	C5	58.251
C2	C6	H9	118.580	C2	C6	H10	118.580
H3	C1	H4	117.018	C5	C2	C6	63.498
C5	C6	H9	117.448	C5	C6	H10	117.448
C6	C5	H7	117.448	C6	C5	H8	117.448
H7	C5	H8	114.912	H9	C6	H10	114.912

All results from a given calculation for C₄H₆ (Methylenecyclopropane)

using model chemistry: LSDA/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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Number	Element	Mulliken
1	C	-0.566
2	C	0.004
3	H	0.205
4	H	0.205
5	C	-0.402
6	C	-0.402
7	H	0.239
8	H	0.239
9	H	0.239
10	H	0.239

<r²>	0.000
(<r²>)^1/2	0.000

All results from a given calculation for C4H6 (Methylenecyclopropane)

using model chemistry: LSDA/3-21G*

States and conformations

All results from a given calculation for C₄H₆ (Methylenecyclopropane)