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	hartrees
Energy at 0K	-155.934551
Energy at 298.15K	-155.940322
Nuclear repulsion energy	108.012847

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3145	3024	10.79
2	A₁	3141	3019	17.51
3	A₁	1842	1771	10.75
4	A₁	1498	1440	0.02
5	A₁	1465	1408	4.39
6	A₁	1067	1026	16.92
7	A₁	1048	1008	2.25
8	A₁	716	688	8.58
9	A₂	3226	3101	0.00
10	A₂	1165	1120	0.00
11	A₂	965	927	0.00
12	A₂	630	606	0.00
13	B₁	3241	3116	31.69
14	B₁	1104	1061	0.08
15	B₁	967	930	83.21
16	B₁	762	732	6.75
17	B₁	311	299	5.66
18	B₂	3247	3121	19.90
19	B₂	3135	3013	20.55
20	B₂	1469	1412	6.18
21	B₂	1153	1109	24.34
22	B₂	1111	1068	4.16
23	B₂	896	862	16.63
24	B₂	359	345	0.85

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	1.658
C2	0.000	0.000	0.323
H3	0.000	0.929	2.225
H4	0.000	-0.929	2.225
C5	0.000	0.785	-0.945
C6	0.000	-0.785	-0.945
H7	0.913	1.291	-1.251
H8	-0.913	1.291	-1.251
H9	-0.913	-1.291	-1.251
H10	0.913	-1.291	-1.251

	C1	C2	H3	H4	C5	C6	H7	H8	H9	H10
C1		1.3350	1.0887	1.0887	2.7187	2.7187	3.3116	3.3116	3.3116	3.3116
C2	1.3350		2.1168	2.1168	1.4912	1.4912	2.2316	2.2316	2.2316	2.2316
H3	1.0887	2.1168		1.8588	3.1731	3.6036	3.6127	3.6127	4.2249	4.2249
H4	1.0887	2.1168	1.8588		3.6036	3.1731	4.2249	4.2249	3.6127	3.6127
C5	2.7187	1.4912	3.1731	3.6036		1.5696	1.0881	1.0881	2.2882	2.2882
C6	2.7187	1.4912	3.6036	3.1731	1.5696		2.2882	2.2882	1.0881	1.0881
H7	3.3116	2.2316	3.6127	4.2249	1.0881	2.2882		1.8264	3.1622	2.5814
H8	3.3116	2.2316	3.6127	4.2249	1.0881	2.2882	1.8264		2.5814	3.1622
H9	3.3116	2.2316	4.2249	3.6127	2.2882	1.0881	3.1622	2.5814		1.8264
H10	3.3116	2.2316	4.2249	3.6127	2.2882	1.0881	2.5814	3.1622	1.8264

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C5	148.245	C1	C2	C6	148.245
C2	C1	H3	121.381	C2	C1	H4	121.381
C2	C5	C6	58.245	C2	C5	H7	118.977
C2	C5	H8	118.977	C2	C6	C5	58.245
C2	C6	H9	118.977	C2	C6	H10	118.977
H3	C1	H4	117.239	C5	C2	C6	63.510
C5	C6	H9	117.707	C5	C6	H10	117.707
C6	C5	H7	117.707	C6	C5	H8	117.707
H7	C5	H8	114.119	H9	C6	H10	114.119

All results from a given calculation for C₄H₆ (Methylenecyclopropane)

using model chemistry: B3LYP/SDD

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	-0.602
2	C	0.225
3	H	0.214
4	H	0.214
5	C	-0.481
6	C	-0.481
7	H	0.227
8	H	0.227
9	H	0.227
10	H	0.227

<r²>	78.429
(<r²>)^1/2	8.856

All results from a given calculation for C4H6 (Methylenecyclopropane)

using model chemistry: B3LYP/SDD

States and conformations

All results from a given calculation for C₄H₆ (Methylenecyclopropane)