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	hartrees
Energy at 0K	-154.944285
Energy at 298.15K	-154.950327
Nuclear repulsion energy	110.278013

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3275	2981	12.93
2	A₁	3255	2963	16.04
3	A₁	1965	1789	11.25
4	A₁	1611	1467	1.56
5	A₁	1562	1422	0.40
6	A₁	1157	1053	0.00
7	A₁	1125	1024	4.56
8	A₁	792	721	10.37
9	A₂	3322	3024	0.00
10	A₂	1269	1156	0.00
11	A₂	1036	943	0.00
12	A₂	669	609	0.00
13	B₁	3336	3037	19.94
14	B₁	1197	1089	2.81
15	B₁	1046	953	53.50
16	B₁	808	735	2.28
17	B₁	338	307	5.76
18	B₂	3353	3052	12.74
19	B₂	3250	2958	20.82
20	B₂	1571	1430	2.01
21	B₂	1240	1129	6.83
22	B₂	1195	1088	0.30
23	B₂	970	883	18.12
24	B₂	385	351	0.19

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	1.622
C2	0.000	0.000	0.317
H3	0.000	0.918	2.180
H4	0.000	-0.918	2.180
C5	0.000	0.764	-0.926
C6	0.000	-0.764	-0.926
H7	0.904	1.263	-1.223
H8	-0.904	1.263	-1.223
H9	-0.904	-1.263	-1.223
H10	0.904	-1.263	-1.223

	C1	C2	H3	H4	C5	C6	H7	H8	H9	H10
C1		1.3051	1.0743	1.0743	2.6600	2.6600	3.2413	3.2413	3.2413	3.2413
C2	1.3051		2.0767	2.0767	1.4588	1.4588	2.1872	2.1872	2.1872	2.1872
H3	1.0743	2.0767		1.8365	3.1094	3.5318	3.5375	3.5375	4.1415	4.1415
H4	1.0743	2.0767	1.8365		3.5318	3.1094	4.1415	4.1415	3.5375	3.5375
C5	2.6600	1.4588	3.1094	3.5318		1.5273	1.0748	1.0748	2.2389	2.2389
C6	2.6600	1.4588	3.5318	3.1094	1.5273		2.2389	2.2389	1.0748	1.0748
H7	3.2413	2.1872	3.5375	4.1415	1.0748	2.2389		1.8086	3.1065	2.5257
H8	3.2413	2.1872	3.5375	4.1415	1.0748	2.2389	1.8086		2.5257	3.1065
H9	3.2413	2.1872	4.1415	3.5375	2.2389	1.0748	3.1065	2.5257		1.8086
H10	3.2413	2.1872	4.1415	3.5375	2.2389	1.0748	2.5257	3.1065	1.8086

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C5	148.434	C1	C2	C6	148.434
C2	C1	H3	121.265	C2	C1	H4	121.265
C2	C5	C6	58.434	C2	C5	H7	118.590
C2	C5	H8	118.590	C2	C6	C5	58.434
C2	C6	H9	118.590	C2	C6	H10	118.590
H3	C1	H4	117.469	C5	C2	C6	63.132
C5	C6	H9	117.675	C5	C6	H10	117.675
C6	C5	H7	117.675	C6	C5	H8	117.675
H7	C5	H8	114.575	H9	C6	H10	114.575

All results from a given calculation for C₄H₆ (Methylenecyclopropane)

using model chemistry: HF/aug-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	-0.683
2	C	0.736
3	H	0.344
4	H	0.344
5	C	-1.028
6	C	-1.028
7	H	0.329
8	H	0.329
9	H	0.329
10	H	0.329

<r²>	76.134
(<r²>)^1/2	8.725

All results from a given calculation for C4H6 (Methylenecyclopropane)

using model chemistry: HF/aug-cc-pVTZ

States and conformations

All results from a given calculation for C₄H₆ (Methylenecyclopropane)