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	hartrees
Energy at 0K	-155.880976
Energy at 298.15K	-155.886592
Nuclear repulsion energy	108.348750

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3061	3037	16.00
2	A₁	3033	3010	18.17
3	A₁	1780	1766	3.57
4	A₁	1460	1448	0.07
5	A₁	1421	1410	0.02
6	A₁	1032	1024	2.53
7	A₁	1008	1000	2.47
8	A₁	715	710	3.44
9	A₂	3101	3077	0.00
10	A₂	1136	1127	0.00
11	A₂	936	929	0.00
12	A₂	600	595	0.00
13	B₁	3113	3089	25.78
14	B₁	1067	1058	0.42
15	B₁	872	865	31.15
16	B₁	733	727	1.09
17	B₁	277	275	2.05
18	B₂	3139	3115	18.01
19	B₂	3034	3011	20.81
20	B₂	1428	1417	0.20
21	B₂	1112	1103	6.08
22	B₂	1035	1027	1.52
23	B₂	873	867	12.10
24	B₂	343	340	0.17

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	1.652
C2	0.000	0.000	0.320
H3	0.000	0.933	2.224
H4	0.000	-0.933	2.224
C5	0.000	0.777	-0.940
C6	0.000	-0.777	-0.940
H7	0.917	1.290	-1.249
H8	-0.917	1.290	-1.249
H9	-0.917	-1.290	-1.249
H10	0.917	-1.290	-1.249

	C1	C2	H3	H4	C5	C6	H7	H8	H9	H10
C1		1.3320	1.0941	1.0941	2.7053	2.7053	3.3045	3.3045	3.3045	3.3045
C2	1.3320		2.1202	2.1202	1.4798	1.4798	2.2286	2.2286	2.2286	2.2286
H3	1.0941	2.1202		1.8652	3.1672	3.5959	3.6096	3.6096	4.2239	4.2239
H4	1.0941	2.1202	1.8652		3.5959	3.1672	4.2239	4.2239	3.6096	3.6096
C5	2.7053	1.4798	3.1672	3.5959		1.5543	1.0957	1.0957	2.2827	2.2827
C6	2.7053	1.4798	3.5959	3.1672	1.5543		2.2827	2.2827	1.0957	1.0957
H7	3.3045	2.2286	3.6096	4.2239	1.0957	2.2827		1.8350	3.1660	2.5800
H8	3.3045	2.2286	3.6096	4.2239	1.0957	2.2827	1.8350		2.5800	3.1660
H9	3.3045	2.2286	4.2239	3.6096	2.2827	1.0957	3.1660	2.5800		1.8350
H10	3.3045	2.2286	4.2239	3.6096	2.2827	1.0957	2.5800	3.1660	1.8350

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C5	148.320	C1	C2	C6	148.320
C2	C1	H3	121.525	C2	C1	H4	121.525
C2	C5	C6	58.320	C2	C5	H7	119.082
C2	C5	H8	119.082	C2	C6	C5	58.320
C2	C6	H9	119.082	C2	C6	H10	119.082
H3	C1	H4	116.950	C5	C2	C6	63.361
C5	C6	H9	117.910	C5	C6	H10	117.910
C6	C5	H7	117.910	C6	C5	H8	117.910
H7	C5	H8	113.729	H9	C6	H10	113.729

All results from a given calculation for C₄H₆ (Methylenecyclopropane)

using model chemistry: BLYP/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	-0.299
2	C	0.177
3	H	0.080
4	H	0.080
5	C	-0.232
6	C	-0.232
7	H	0.107
8	H	0.107
9	H	0.107
10	H	0.107

<r²>	78.024
(<r²>)^1/2	8.833

All results from a given calculation for C4H6 (Methylenecyclopropane)

using model chemistry: BLYP/6-31G**

States and conformations

All results from a given calculation for C₄H₆ (Methylenecyclopropane)