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	hartrees
Energy at 0K	-155.963958
Energy at 298.15K	-155.969737
Nuclear repulsion energy	109.666783

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3151	3014	12.22
2	A₁	3131	2995	12.14
3	A₁	1867	1786	8.28
4	A₁	1485	1420	0.05
5	A₁	1442	1380	1.54
6	A₁	1089	1042	2.77
7	A₁	1038	993	6.07
8	A₁	764	731	5.92
9	A₂	3205	3067	0.00
10	A₂	1171	1121	0.00
11	A₂	959	918	0.00
12	A₂	617	591	0.00
13	B₁	3218	3079	15.20
14	B₁	1099	1051	1.27
15	B₁	923	883	42.90
16	B₁	758	725	2.24
17	B₁	295	282	5.50
18	B₂	3237	3097	11.12
19	B₂	3129	2994	15.43
20	B₂	1446	1383	3.18
21	B₂	1148	1098	8.47
22	B₂	1073	1027	2.47
23	B₂	914	875	13.87
24	B₂	357	342	0.42

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	1.632
C2	0.000	0.000	0.316
H3	0.000	0.927	2.194
H4	0.000	-0.927	2.194
C5	0.000	0.766	-0.929
C6	0.000	-0.766	-0.929
H7	0.912	1.271	-1.231
H8	-0.912	1.271	-1.231
H9	-0.912	-1.271	-1.231
H10	0.912	-1.271	-1.231

	C1	C2	H3	H4	C5	C6	H7	H8	H9	H10
C1		1.3161	1.0845	1.0845	2.6734	2.6734	3.2619	3.2619	3.2619	3.2619
C2	1.3161		2.0950	2.0950	1.4619	1.4619	2.1995	2.1995	2.1995	2.1995
H3	1.0845	2.0950		1.8543	3.1280	3.5531	3.5610	3.5610	4.1705	4.1705
H4	1.0845	2.0950	1.8543		3.5531	3.1280	4.1705	4.1705	3.5610	3.5610
C5	2.6734	1.4619	3.1280	3.5531		1.5316	1.0851	1.0851	2.2516	2.2516
C6	2.6734	1.4619	3.5531	3.1280	1.5316		2.2516	2.2516	1.0851	1.0851
H7	3.2619	2.1995	3.5610	4.1705	1.0851	2.2516		1.8241	3.1282	2.5414
H8	3.2619	2.1995	3.5610	4.1705	1.0851	2.2516	1.8241		2.5414	3.1282
H9	3.2619	2.1995	4.1705	3.5610	2.2516	1.0851	3.1282	2.5414		1.8241
H10	3.2619	2.1995	4.1705	3.5610	2.2516	1.0851	2.5414	3.1282	1.8241

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C5	148.409	C1	C2	C6	148.409
C2	C1	H3	121.246	C2	C1	H4	121.246
C2	C5	C6	58.409	C2	C5	H7	118.695
C2	C5	H8	118.695	C2	C6	C5	58.409
C2	C6	H9	118.695	C2	C6	H10	118.695
H3	C1	H4	117.508	C5	C2	C6	63.183
C5	C6	H9	117.728	C5	C6	H10	117.728
C6	C5	H7	117.728	C6	C5	H8	117.728
H7	C5	H8	114.392	H9	C6	H10	114.392

All results from a given calculation for C₄H₆ (Methylenecyclopropane)

using model chemistry: mPW1PW91/6-311G**

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	-0.242
2	C	-0.073
3	H	0.118
4	H	0.118
5	C	-0.253
6	C	-0.253
7	H	0.146
8	H	0.146
9	H	0.146
10	H	0.146

<r²>	76.520
(<r²>)^1/2	8.748

All results from a given calculation for C4H6 (Methylenecyclopropane)

using model chemistry: mPW1PW91/6-311G**

States and conformations

All results from a given calculation for C₄H₆ (Methylenecyclopropane)