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	hartrees
Energy at 0K	-155.062734
Energy at 298.15K	-155.068611
Nuclear repulsion energy	109.143418

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3173	3029	0.46
2	A₁	3171	3027	15.13
3	A₁	1873	1788	3.60
4	A₁	1529	1459	0.07
5	A₁	1499	1431	1.91
6	A₁	1080	1031	16.78
7	A₁	1044	996	1.55
8	A₁	734	701	6.74
9	A₂	3250	3102	0.00
10	A₂	1189	1135	0.00
11	A₂	990	945	0.00
12	A₂	645	616	0.00
13	B₁	3265	3116	8.60
14	B₁	1140	1089	0.06
15	B₁	968	924	56.38
16	B₁	784	748	2.44
17	B₁	333	318	6.76
18	B₂	3253	3105	9.67
19	B₂	3169	3025	7.09
20	B₂	1493	1426	3.75
21	B₂	1185	1131	14.75
22	B₂	1119	1068	6.61
23	B₂	909	868	10.81
24	B₂	371	355	0.90

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	1.635
C2	0.000	0.000	0.321
H3	0.000	0.926	2.201
H4	0.000	-0.926	2.201
C5	0.000	0.776	-0.934
C6	0.000	-0.776	-0.934
H7	0.917	1.273	-1.233
H8	-0.917	1.273	-1.233
H9	-0.917	-1.273	-1.233
H10	0.917	-1.273	-1.233

	C1	C2	H3	H4	C5	C6	H7	H8	H9	H10
C1		1.3136	1.0853	1.0853	2.6834	2.6834	3.2685	3.2685	3.2685	3.2685
C2	1.3136		2.0953	2.0953	1.4758	1.4758	2.2080	2.2080	2.2080	2.2080
H3	1.0853	2.0953		1.8521	3.1383	3.5671	3.5706	3.5706	4.1790	4.1790
H4	1.0853	2.0953	1.8521		3.5671	3.1383	4.1790	4.1790	3.5706	3.5706
C5	2.6834	1.4758	3.1383	3.5671		1.5525	1.0848	1.0848	2.2647	2.2647
C6	2.6834	1.4758	3.5671	3.1383	1.5525		2.2647	2.2647	1.0848	1.0848
H7	3.2685	2.2080	3.5706	4.1790	1.0848	2.2647		1.8340	3.1376	2.5457
H8	3.2685	2.2080	3.5706	4.1790	1.0848	2.2647	1.8340		2.5457	3.1376
H9	3.2685	2.2080	4.1790	3.5706	2.2647	1.0848	3.1376	2.5457		1.8340
H10	3.2685	2.2080	4.1790	3.5706	2.2647	1.0848	2.5457	3.1376	1.8340

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C5	148.265	C1	C2	C6	148.265
C2	C1	H3	121.433	C2	C1	H4	121.433
C2	C5	C6	58.265	C2	C5	H7	118.357
C2	C5	H8	118.357	C2	C6	C5	58.265
C2	C6	H9	118.357	C2	C6	H10	118.357
H3	C1	H4	117.134	C5	C2	C6	63.469
C5	C6	H9	117.246	C5	C6	H10	117.246
C6	C5	H7	117.246	C6	C5	H8	117.246
H7	C5	H8	115.418	H9	C6	H10	115.418

All results from a given calculation for C₄H₆ (Methylenecyclopropane)

using model chemistry: mPW1PW91/3-21G

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	-0.563
2	C	-0.033
3	H	0.214
4	H	0.214
5	C	-0.404
6	C	-0.404
7	H	0.244
8	H	0.244
9	H	0.244
10	H	0.244

<r²>	76.915
(<r²>)^1/2	8.770

All results from a given calculation for C4H6 (Methylenecyclopropane)

using model chemistry: mPW1PW91/3-21G

States and conformations

All results from a given calculation for C₄H₆ (Methylenecyclopropane)