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	hartrees
Energy at 0K	-155.023902
Energy at 298.15K	-155.029645
Nuclear repulsion energy	108.980182

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3092	3029	8.39
2	A₁	3081	3018	6.18
3	A₁	1864	1826	7.98
4	A₁	1459	1430	0.20
5	A₁	1427	1398	4.12
6	A₁	1084	1062	2.42
7	A₁	1041	1020	17.82
8	A₁	753	737	4.37
9	A₂	3156	3092	0.00
10	A₂	1147	1124	0.00
11	A₂	949	930	0.00
12	A₂	619	606	0.00
13	B₁	3170	3106	11.26
14	B₁	1082	1060	0.38
15	B₁	913	894	53.64
16	B₁	758	742	3.88
17	B₁	299	293	4.19
18	B₂	3181	3116	12.10
19	B₂	3078	3015	7.12
20	B₂	1432	1403	5.63
21	B₂	1141	1118	16.99
22	B₂	1085	1063	6.26
23	B₂	901	883	10.73
24	B₂	356	349	0.85

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	1.640
C2	0.000	0.000	0.317
H3	0.000	0.933	2.214
H4	0.000	-0.933	2.214
C5	0.000	0.769	-0.933
C6	0.000	-0.769	-0.933
H7	0.916	1.284	-1.243
H8	-0.916	1.284	-1.243
H9	-0.916	-1.284	-1.243
H10	0.916	-1.284	-1.243

	C1	C2	H3	H4	C5	C6	H7	H8	H9	H10
C1		1.3227	1.0958	1.0958	2.6859	2.6859	3.2868	3.2868	3.2868	3.2868
C2	1.3227		2.1140	2.1140	1.4683	1.4683	2.2193	2.2193	2.2193	2.2193
H3	1.0958	2.1140		1.8665	3.1519	3.5785	3.5942	3.5942	4.2086	4.2086
H4	1.0958	2.1140	1.8665		3.5785	3.1519	4.2086	4.2086	3.5942	3.5942
C5	2.6859	1.4683	3.1519	3.5785		1.5381	1.0961	1.0961	2.2699	2.2699
C6	2.6859	1.4683	3.5785	3.1519	1.5381		2.2699	2.2699	1.0961	1.0961
H7	3.2868	2.2193	3.5942	4.2086	1.0961	2.2699		1.8328	3.1555	2.5687
H8	3.2868	2.2193	3.5942	4.2086	1.0961	2.2699	1.8328		2.5687	3.1555
H9	3.2868	2.2193	4.2086	3.5942	2.2699	1.0961	3.1555	2.5687		1.8328
H10	3.2868	2.2193	4.2086	3.5942	2.2699	1.0961	2.5687	3.1555	1.8328

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C5	148.415	C1	C2	C6	148.415
C2	C1	H3	121.603	C2	C1	H4	121.603
C2	C5	C6	58.415	C2	C5	H7	119.151
C2	C5	H8	119.151	C2	C6	C5	58.415
C2	C6	H9	119.151	C2	C6	H10	119.151
H3	C1	H4	116.795	C5	C2	C6	63.171
C5	C6	H9	118.042	C5	C6	H10	118.042
C6	C5	H7	118.042	C6	C5	H8	118.042
H7	C5	H8	113.457	H9	C6	H10	113.457

All results from a given calculation for C₄H₆ (Methylenecyclopropane)

using model chemistry: LSDA/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	-0.434
2	C	0.093
3	H	0.149
4	H	0.149
5	C	-0.353
6	C	-0.353
7	H	0.187
8	H	0.187
9	H	0.187
10	H	0.187

<r²>	0.000
(<r²>)^1/2	0.000

All results from a given calculation for C4H6 (Methylenecyclopropane)

using model chemistry: LSDA/6-31G

States and conformations

All results from a given calculation for C₄H₆ (Methylenecyclopropane)