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	hartrees
Energy at 0K	-154.944440
Energy at 298.15K	-154.950468
HF Energy	-154.944440
Nuclear repulsion energy	110.261114

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3270	2958	12.68
2	A₁	3253	2943	16.32
3	A₁	1965	1777	11.18
4	A₁	1611	1458	1.56
5	A₁	1562	1413	0.38
6	A₁	1157	1046	0.00
7	A₁	1125	1018	4.59
8	A₁	792	716	10.38
9	A₂	3321	3004	0.00
10	A₂	1270	1148	0.00
11	A₂	1037	938	0.00
12	A₂	670	606	0.00
13	B₁	3335	3017	19.83
14	B₁	1197	1082	2.82
15	B₁	1047	948	53.59
16	B₁	808	731	2.21
17	B₁	339	307	5.73
18	B₂	3348	3029	12.72
19	B₂	3248	2938	20.85
20	B₂	1571	1421	2.01
21	B₂	1239	1121	6.74
22	B₂	1194	1081	0.30
23	B₂	970	877	18.19
24	B₂	387	350	0.20

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	1.623
C2	0.000	0.000	0.318
H3	0.000	0.919	2.180
H4	0.000	-0.919	2.180
C5	0.000	0.764	-0.926
C6	0.000	-0.764	-0.926
H7	0.905	1.263	-1.223
H8	-0.905	1.263	-1.223
H9	-0.905	-1.263	-1.223
H10	0.905	-1.263	-1.223

	C1	C2	H3	H4	C5	C6	H7	H8	H9	H10
C1		1.3048	1.0748	1.0748	2.6604	2.6604	3.2417	3.2417	3.2417	3.2417
C2	1.3048		2.0769	2.0769	1.4593	1.4593	2.1876	2.1876	2.1876	2.1876
H3	1.0748	2.0769		1.8372	3.1102	3.5326	3.5382	3.5382	4.1422	4.1422
H4	1.0748	2.0769	1.8372		3.5326	3.1102	4.1422	4.1422	3.5382	3.5382
C5	2.6604	1.4593	3.1102	3.5326		1.5274	1.0749	1.0749	2.2388	2.2388
C6	2.6604	1.4593	3.5326	3.1102	1.5274		2.2388	2.2388	1.0749	1.0749
H7	3.2417	2.1876	3.5382	4.1422	1.0749	2.2388		1.8093	3.1063	2.5250
H8	3.2417	2.1876	3.5382	4.1422	1.0749	2.2388	1.8093		2.5250	3.1063
H9	3.2417	2.1876	4.1422	3.5382	2.2388	1.0749	3.1063	2.5250		1.8093
H10	3.2417	2.1876	4.1422	3.5382	2.2388	1.0749	2.5250	3.1063	1.8093

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C5	148.446	C1	C2	C6	148.446
C2	C1	H3	121.273	C2	C1	H4	121.273
C2	C5	C6	58.446	C2	C5	H7	118.573
C2	C5	H8	118.573	C2	C6	C5	58.446
C2	C6	H9	118.573	C2	C6	H10	118.573
H3	C1	H4	117.453	C5	C2	C6	63.109
C5	C6	H9	117.650	C5	C6	H10	117.650
C6	C5	H7	117.650	C6	C5	H8	117.650
H7	C5	H8	114.621	H9	C6	H10	114.621

All results from a given calculation for C₄H₆ (Methylenecyclopropane)

using model chemistry: HF/daug-cc-pVTZ

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	-1.181
2	C	1.916
3	H	0.526
4	H	0.526
5	C	-1.401
6	C	-1.401
7	H	0.254
8	H	0.254
9	H	0.254
10	H	0.254

<r²>	76.152
(<r²>)^1/2	8.726

All results from a given calculation for C4H6 (Methylenecyclopropane)

using model chemistry: HF/daug-cc-pVTZ

States and conformations

All results from a given calculation for C₄H₆ (Methylenecyclopropane)