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	hartrees
Energy at 0K	-155.081223
Energy at 298.15K	-155.086854
Nuclear repulsion energy	109.333764

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3076	3030	8.11
2	A₁	3056	3010	6.71
3	A₁	1838	1810	13.33
4	A₁	1420	1398	0.02
5	A₁	1376	1355	2.83
6	A₁	1079	1063	3.14
7	A₁	986	971	12.31
8	A₁	757	745	5.08
9	A₂	3133	3086	0.00
10	A₂	1119	1102	0.00
11	A₂	914	901	0.00
12	A₂	587	579	0.00
13	B₁	3144	3097	4.08
14	B₁	1049	1033	0.60
15	B₁	865	852	55.49
16	B₁	730	719	4.79
17	B₁	287	283	4.90
18	B₂	3165	3118	6.50
19	B₂	3056	3010	8.05
20	B₂	1377	1356	5.80
21	B₂	1110	1094	10.70
22	B₂	1023	1008	4.15
23	B₂	889	876	13.82
24	B₂	343	338	0.76

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	1.636
C2	0.000	0.000	0.313
H3	0.000	0.937	2.205
H4	0.000	-0.937	2.205
C5	0.000	0.764	-0.930
C6	0.000	-0.764	-0.930
H7	0.921	1.277	-1.236
H8	-0.921	1.277	-1.236
H9	-0.921	-1.277	-1.236
H10	0.921	-1.277	-1.236

	C1	C2	H3	H4	C5	C6	H7	H8	H9	H10
C1		1.3236	1.0962	1.0962	2.6775	2.6775	3.2749	3.2749	3.2749	3.2749
C2	1.3236		2.1115	2.1115	1.4588	1.4588	2.2079	2.2079	2.2079	2.2079
H3	1.0962	2.1115		1.8746	3.1393	3.5666	3.5774	3.5774	4.1934	4.1934
H4	1.0962	2.1115	1.8746		3.5666	3.1393	4.1934	4.1934	3.5774	3.5774
C5	2.6775	1.4588	3.1393	3.5666		1.5287	1.0973	1.0973	2.2601	2.2601
C6	2.6775	1.4588	3.5666	3.1393	1.5287		2.2601	2.2601	1.0973	1.0973
H7	3.2749	2.2079	3.5774	4.1934	1.0973	2.2601		1.8418	3.1485	2.5536
H8	3.2749	2.2079	3.5774	4.1934	1.0973	2.2601	1.8418		2.5536	3.1485
H9	3.2749	2.2079	4.1934	3.5774	2.2601	1.0973	3.1485	2.5536		1.8418
H10	3.2749	2.2079	4.1934	3.5774	2.2601	1.0973	2.5536	3.1485	1.8418

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C5	148.400	C1	C2	C6	148.400
C2	C1	H3	121.234	C2	C1	H4	121.234
C2	C5	C6	58.400	C2	C5	H7	118.812
C2	C5	H8	118.812	C2	C6	C5	58.400
C2	C6	H9	118.812	C2	C6	H10	118.812
H3	C1	H4	117.532	C5	C2	C6	63.200
C5	C6	H9	117.840	C5	C6	H10	117.840
C6	C5	H7	117.840	C6	C5	H8	117.840
H7	C5	H8	114.120	H9	C6	H10	114.120

All results from a given calculation for C₄H₆ (Methylenecyclopropane)

using model chemistry: LSDA/6-31+G**

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	-0.111
2	C	-0.227
3	H	0.162
4	H	0.162
5	C	-0.385
6	C	-0.385
7	H	0.196
8	H	0.196
9	H	0.196
10	H	0.196

<r²>	0.000
(<r²>)^1/2	0.000

All results from a given calculation for C4H6 (Methylenecyclopropane)

using model chemistry: LSDA/6-31+G**

States and conformations

All results from a given calculation for C₄H₆ (Methylenecyclopropane)