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	hartrees
Energy at 0K	-155.752369
Energy at 298.15K	-155.757973
Nuclear repulsion energy	108.413362

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3064	3046	11.81
2	A₁	3037	3019	11.17
3	A₁	1808	1798	7.09
4	A₁	1410	1402	0.03
5	A₁	1367	1359	0.62
6	A₁	1057	1051	2.38
7	A₁	982	976	3.90
8	A₁	740	735	3.54
9	A₂	3117	3099	0.00
10	A₂	1114	1108	0.00
11	A₂	912	907	0.00
12	A₂	583	580	0.00
13	B₁	3129	3111	11.96
14	B₁	1040	1034	0.69
15	B₁	865	860	31.84
16	B₁	721	717	2.30
17	B₁	277	276	2.92
18	B₂	3157	3139	10.96
19	B₂	3037	3019	12.95
20	B₂	1364	1356	1.94
21	B₂	1103	1097	7.76
22	B₂	1010	1004	1.03
23	B₂	883	877	11.01
24	B₂	341	339	0.31

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	1.650
C2	0.000	0.000	0.317
H3	0.000	0.942	2.221
H4	0.000	-0.942	2.221
C5	0.000	0.773	-0.939
C6	0.000	-0.773	-0.939
H7	0.926	1.287	-1.245
H8	-0.926	1.287	-1.245
H9	-0.926	-1.287	-1.245
H10	0.926	-1.287	-1.245

	C1	C2	H3	H4	C5	C6	H7	H8	H9	H10
C1		1.3331	1.1012	1.1012	2.7019	2.7019	3.3011	3.3011	3.3011	3.3011
C2	1.3331		2.1239	2.1239	1.4746	1.4746	2.2260	2.2260	2.2260	2.2260
H3	1.1012	2.1239		1.8839	3.1640	3.5948	3.6039	3.6039	4.2236	4.2236
H4	1.1012	2.1239	1.8839		3.5948	3.1640	4.2236	4.2236	3.6039	3.6039
C5	2.7019	1.4746	3.1640	3.5948		1.5456	1.1027	1.1027	2.2794	2.2794
C6	2.7019	1.4746	3.5948	3.1640	1.5456		2.2794	2.2794	1.1027	1.1027
H7	3.3011	2.2260	3.6039	4.2236	1.1027	2.2794		1.8516	3.1715	2.5749
H8	3.3011	2.2260	3.6039	4.2236	1.1027	2.2794	1.8516		2.5749	3.1715
H9	3.3011	2.2260	4.2236	3.6039	2.2794	1.1027	3.1715	2.5749		1.8516
H10	3.3011	2.2260	4.2236	3.6039	2.2794	1.1027	2.5749	3.1715	1.8516

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C5	148.395	C1	C2	C6	148.395
C2	C1	H3	121.201	C2	C1	H4	121.201
C2	C5	C6	58.395	C2	C5	H7	118.764
C2	C5	H8	118.764	C2	C6	C5	58.395
C2	C6	H9	118.764	C2	C6	H10	118.764
H3	C1	H4	117.597	C5	C2	C6	63.210
C5	C6	H9	117.823	C5	C6	H10	117.823
C6	C5	H7	117.823	C6	C5	H8	117.823
H7	C5	H8	114.202	H9	C6	H10	114.202

All results from a given calculation for C₄H₆ (Methylenecyclopropane)

using model chemistry: PBEPBE/cc-pVDZ

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	-0.054
2	C	-0.104
3	H	0.024
4	H	0.024
5	C	-0.045
6	C	-0.045
7	H	0.050
8	H	0.050
9	H	0.050
10	H	0.050

<r²>	78.024
(<r²>)^1/2	8.833

All results from a given calculation for C4H6 (Methylenecyclopropane)

using model chemistry: PBEPBE/cc-pVDZ

States and conformations

All results from a given calculation for C₄H₆ (Methylenecyclopropane)