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	hartrees
Energy at 0K	-26.095717
Energy at 298.15K	-26.101478
Nuclear repulsion energy	58.045078

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3093	3014	19.25
2	A₁	3081	3003	21.64
3	A₁	1802	1756	7.43
4	A₁	1488	1450	0.07
5	A₁	1455	1417	1.06
6	A₁	1059	1032	8.64
7	A₁	1032	1006	3.61
8	A₁	705	687	9.04
9	A₂	3165	3084	0.00
10	A₂	1160	1131	0.00
11	A₂	968	943	0.00
12	A₂	629	613	0.00
13	B₁	3181	3100	41.01
14	B₁	1100	1072	1.00
15	B₁	944	920	56.78
16	B₁	759	740	2.74
17	B₁	299	292	5.45
18	B₂	3190	3109	27.84
19	B₂	3074	2996	27.80
20	B₂	1458	1420	1.60
21	B₂	1136	1107	13.24
22	B₂	1094	1066	3.44
23	B₂	880	858	15.94
24	B₂	344	335	0.55

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	1.674
C2	0.000	0.000	0.334
H3	0.000	0.930	2.242
H4	0.000	-0.930	2.242
C5	0.000	0.788	-0.941
C6	0.000	-0.788	-0.941
H7	0.915	1.295	-1.247
H8	-0.915	1.295	-1.247
H9	-0.915	-1.295	-1.247
H10	0.915	-1.295	-1.247

	C1	C2	H3	H4	C5	C6	H7	H8	H9	H10
C1		1.3402	1.0898	1.0898	2.7309	2.7309	3.3234	3.3234	3.3234	3.3234
C2	1.3402		2.1231	2.1231	1.4985	1.4985	2.2387	2.2387	2.2387	2.2387
H3	1.0898	2.1231		1.8597	3.1862	3.6172	3.6257	3.6257	4.2380	4.2380
H4	1.0898	2.1231	1.8597		3.6172	3.1862	4.2380	4.2380	3.6257	3.6257
C5	2.7309	1.4985	3.1862	3.6172		1.5766	1.0895	1.0895	2.2954	2.2954
C6	2.7309	1.4985	3.6172	3.1862	1.5766		2.2954	2.2954	1.0895	1.0895
H7	3.3234	2.2387	3.6257	4.2380	1.0895	2.2954		1.8295	3.1703	2.5891
H8	3.3234	2.2387	3.6257	4.2380	1.0895	2.2954	1.8295		2.5891	3.1703
H9	3.3234	2.2387	4.2380	3.6257	2.2954	1.0895	3.1703	2.5891		1.8295
H10	3.3234	2.2387	4.2380	3.6257	2.2954	1.0895	2.5891	3.1703	1.8295

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C5	148.262	C1	C2	C6	148.262
C2	C1	H3	121.437	C2	C1	H4	121.437
C2	C5	C6	58.262	C2	C5	H7	118.921
C2	C5	H8	118.921	C2	C6	C5	58.262
C2	C6	H9	118.921	C2	C6	H10	118.921
H3	C1	H4	117.126	C5	C2	C6	63.477
C5	C6	H9	117.691	C5	C6	H10	117.691
C6	C5	H7	117.691	C6	C5	H8	117.691
H7	C5	H8	114.202	H9	C6	H10	114.202

All results from a given calculation for C₄H₆ (Methylenecyclopropane)

using model chemistry: B3LYP/CEP-121G

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	-0.413
2	C	0.286
3	H	0.124
4	H	0.124
5	C	-0.377
6	C	-0.377
7	H	0.158
8	H	0.158
9	H	0.158
10	H	0.158

<r²>	67.365
(<r²>)^1/2	8.208

All results from a given calculation for C4H6 (Methylenecyclopropane)

using model chemistry: B3LYP/CEP-121G

States and conformations

All results from a given calculation for C₄H₆ (Methylenecyclopropane)