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	hartrees
Energy at 0K	-155.840675
Energy at 298.15K	-155.846524
Nuclear repulsion energy	109.140826

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3174	3027	13.12
2	A₁	3163	3016	10.21
3	A₁	1889	1802	5.13
4	A₁	1520	1450	0.04
5	A₁	1487	1419	1.52
6	A₁	1095	1044	1.35
7	A₁	1087	1037	12.17
8	A₁	760	725	6.29
9	A₂	3238	3088	0.00
10	A₂	1190	1135	0.00
11	A₂	984	938	0.00
12	A₂	639	610	0.00
13	B₁	3252	3101	20.88
14	B₁	1123	1071	0.00
15	B₁	962	917	50.94
16	B₁	783	747	2.43
17	B₁	310	295	4.52
18	B₂	3262	3111	17.71
19	B₂	3159	3012	12.44
20	B₂	1492	1423	2.65
21	B₂	1177	1123	14.42
22	B₂	1134	1081	4.36
23	B₂	922	879	12.15
24	B₂	366	349	0.60

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	1.641
C2	0.000	0.000	0.320
H3	0.000	0.924	2.209
H4	0.000	-0.924	2.209
C5	0.000	0.770	-0.935
C6	0.000	-0.770	-0.935
H7	0.908	1.279	-1.242
H8	-0.908	1.279	-1.242
H9	-0.908	-1.279	-1.242
H10	0.908	-1.279	-1.242

	C1	C2	H3	H4	C5	C6	H7	H8	H9	H10
C1		1.3210	1.0850	1.0850	2.6882	2.6882	3.2817	3.2817	3.2817	3.2817
C2	1.3210		2.1035	2.1035	1.4722	1.4722	2.2135	2.2135	2.2135	2.2135
H3	1.0850	2.1035		1.8482	3.1479	3.5717	3.5862	3.5862	4.1939	4.1939
H4	1.0850	2.1035	1.8482		3.5717	3.1479	4.1939	4.1939	3.5862	3.5862
C5	2.6882	1.4722	3.1479	3.5717		1.5409	1.0854	1.0854	2.2628	2.2628
C6	2.6882	1.4722	3.5717	3.1479	1.5409		2.2628	2.2628	1.0854	1.0854
H7	3.2817	2.2135	3.5862	4.1939	1.0854	2.2628		1.8166	3.1378	2.5585
H8	3.2817	2.2135	3.5862	4.1939	1.0854	2.2628	1.8166		2.5585	3.1378
H9	3.2817	2.2135	4.1939	3.5862	2.2628	1.0854	3.1378	2.5585		1.8166
H10	3.2817	2.2135	4.1939	3.5862	2.2628	1.0854	2.5585	3.1378	1.8166

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C5	148.443	C1	C2	C6	148.443
C2	C1	H3	121.607	C2	C1	H4	121.607
C2	C5	C6	58.443	C2	C5	H7	119.096
C2	C5	H8	119.096	C2	C6	C5	58.443
C2	C6	H9	119.096	C2	C6	H10	119.096
H3	C1	H4	116.787	C5	C2	C6	63.113
C5	C6	H9	117.954	C5	C6	H10	117.954
C6	C5	H7	117.954	C6	C5	H8	117.954
H7	C5	H8	113.617	H9	C6	H10	113.617

All results from a given calculation for C₄H₆ (Methylenecyclopropane)

using model chemistry: B1B95/6-31G

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	-0.400
2	C	0.038
3	H	0.145
4	H	0.145
5	C	-0.323
6	C	-0.323
7	H	0.179
8	H	0.179
9	H	0.179
10	H	0.179

<r²>	77.053
(<r²>)^1/2	8.778

All results from a given calculation for C4H6 (Methylenecyclopropane)

using model chemistry: B1B95/6-31G

States and conformations

All results from a given calculation for C₄H₆ (Methylenecyclopropane)