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	hartrees
Energy at 0K	-155.762993
Energy at 298.15K	-155.768764
HF Energy	-155.593638
Nuclear repulsion energy	109.197216

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3180	3018	13.52
2	A₁	3159	2998	12.00
3	A₁	1860	1766	2.08
4	A₁	1531	1453	0.10
5	A₁	1487	1412	0.03
6	A₁	1087	1032	1.21
7	A₁	1070	1016	4.88
8	A₁	758	719	4.97
9	A₂	3231	3067	0.00
10	A₂	1197	1136	0.00
11	A₂	982	932	0.00
12	A₂	631	598	0.00
13	B₁	3243	3078	19.69
14	B₁	1123	1066	0.61
15	B₁	917	870	38.43
16	B₁	774	734	0.97
17	B₁	289	275	2.73
18	B₂	3261	3096	13.96
19	B₂	3157	2997	15.73
20	B₂	1497	1421	0.44
21	B₂	1167	1108	7.59
22	B₂	1098	1042	2.70
23	B₂	923	876	12.07
24	B₂	357	339	0.24

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	1.653
C2	0.000	0.000	0.307
H3	0.000	0.895	2.173
H4	0.000	-0.895	2.173
C5	0.000	0.746	-0.893
C6	0.000	-0.746	-0.893
H7	0.918	0.927	-1.347
H8	-0.918	0.927	-1.347
H9	-0.918	-0.927	-1.347
H10	0.918	-0.927	-1.347

	C1	C2	H3	H4	C5	C6	H7	H8	H9	H10
C1		1.3464	1.0353	1.0353	2.6538	2.6538	3.2717	3.2717	3.2717	3.2717
C2	1.3464		2.0699	2.0699	1.4135	1.4135	2.1064	2.1064	2.1064	2.1064
H3	1.0353	2.0699		1.7907	3.0702	3.4784	3.6382	3.6382	4.0687	4.0687
H4	1.0353	2.0699	1.7907		3.4784	3.0702	4.0687	4.0687	3.6382	3.6382
C5	2.6538	1.4135	3.0702	3.4784		1.4929	1.0396	1.0396	1.9615	1.9615
C6	2.6538	1.4135	3.4784	3.0702	1.4929		1.9615	1.9615	1.0396	1.0396
H7	3.2717	2.1064	3.6382	4.0687	1.0396	1.9615		1.8357	2.6084	1.8531
H8	3.2717	2.1064	3.6382	4.0687	1.0396	1.9615	1.8357		1.8531	2.6084
H9	3.2717	2.1064	4.0687	3.6382	1.9615	1.0396	2.6084	1.8531		1.8357
H10	3.2717	2.1064	4.0687	3.6382	1.9615	1.0396	1.8531	2.6084	1.8357

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C5	148.123	C1	C2	C6	148.123
C2	C1	H3	120.142	C2	C1	H4	120.142
C2	C5	C6	58.123	C2	C5	H7	117.526
C2	C5	H8	117.526	C2	C6	C5	58.123
C2	C6	H9	117.526	C2	C6	H10	117.526
H3	C1	H4	119.717	C5	C2	C6	63.754
C5	C6	H9	99.975	C5	C6	H10	99.975
C6	C5	H7	99.975	C6	C5	H8	99.975
H7	C5	H8	123.982	H9	C6	H10	123.982

All results from a given calculation for C₄H₆ (Methylenecyclopropane)

using model chemistry: B2PLYP/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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Number	Element	Mulliken
1	C	-0.435
2	C	0.195
3	H	0.151
4	H	0.151
5	C	-0.375
6	C	-0.375
7	H	0.172
8	H	0.172
9	H	0.172
10	H	0.172

<r²>	77.080
(<r²>)^1/2	8.780

All results from a given calculation for C4H6 (Methylenecyclopropane)

using model chemistry: B2PLYP/6-31G*

States and conformations

All results from a given calculation for C₄H₆ (Methylenecyclopropane)