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	hartrees
Energy at 0K	-155.909950
Energy at 298.15K	-155.915562
Nuclear repulsion energy	108.534878

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3037	3029	20.67
2	A₁	3017	3009	23.72
3	A₁	1767	1763	5.51
4	A₁	1456	1452	0.07
5	A₁	1420	1416	0.41
6	A₁	1025	1023	3.24
7	A₁	996	993	4.38
8	A₁	709	707	4.54
9	A₂	3081	3073	0.00
10	A₂	1139	1136	0.00
11	A₂	941	939	0.00
12	A₂	603	602	0.00
13	B₁	3095	3087	33.00
14	B₁	1071	1068	1.24
15	B₁	867	865	40.88
16	B₁	741	739	1.44
17	B₁	269	268	4.46
18	B₂	3110	3103	22.73
19	B₂	3017	3009	28.26
20	B₂	1425	1421	1.27
21	B₂	1113	1110	6.14
22	B₂	1028	1026	2.87
23	B₂	869	867	14.27
24	B₂	345	345	0.31

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	1.647
C2	0.000	0.000	0.319
H3	0.000	0.931	2.220
H4	0.000	-0.931	2.220
C5	0.000	0.777	-0.938
C6	0.000	-0.777	-0.938
H7	0.917	1.287	-1.247
H8	-0.917	1.287	-1.247
H9	-0.917	-1.287	-1.247
H10	0.917	-1.287	-1.247

	C1	C2	H3	H4	C5	C6	H7	H8	H9	H10
C1		1.3278	1.0933	1.0933	2.6989	2.6989	3.2974	3.2974	3.2974	3.2974
C2	1.3278		2.1164	2.1164	1.4776	1.4776	2.2250	2.2250	2.2250	2.2250
H3	1.0933	2.1164		1.8627	3.1611	3.5898	3.6035	3.6035	4.2167	4.2167
H4	1.0933	2.1164	1.8627		3.5898	3.1611	4.2167	4.2167	3.6035	3.6035
C5	2.6989	1.4776	3.1611	3.5898		1.5540	1.0938	1.0938	2.2797	2.2797
C6	2.6989	1.4776	3.5898	3.1611	1.5540		2.2797	2.2797	1.0938	1.0938
H7	3.2974	2.2250	3.6035	4.2167	1.0938	2.2797		1.8331	3.1606	2.5747
H8	3.2974	2.2250	3.6035	4.2167	1.0938	2.2797	1.8331		2.5747	3.1606
H9	3.2974	2.2250	4.2167	3.6035	2.2797	1.0938	3.1606	2.5747		1.8331
H10	3.2974	2.2250	4.2167	3.6035	2.2797	1.0938	2.5747	3.1606	1.8331

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C5	148.275	C1	C2	C6	148.275
C2	C1	H3	121.588	C2	C1	H4	121.588
C2	C5	C6	58.275	C2	C5	H7	119.078
C2	C5	H8	119.078	C2	C6	C5	58.275
C2	C6	H9	119.078	C2	C6	H10	119.078
H3	C1	H4	116.823	C5	C2	C6	63.450
C5	C6	H9	117.814	C5	C6	H10	117.814
C6	C5	H7	117.814	C6	C5	H8	117.814
H7	C5	H8	113.859	H9	C6	H10	113.859

All results from a given calculation for C₄H₆ (Methylenecyclopropane)

using model chemistry: BLYP/6-311G*

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	-0.485
2	C	0.133
3	H	0.188
4	H	0.188
5	C	-0.429
6	C	-0.429
7	H	0.208
8	H	0.208
9	H	0.208
10	H	0.208

<r²>	78.174
(<r²>)^1/2	8.842

All results from a given calculation for C4H6 (Methylenecyclopropane)

using model chemistry: BLYP/6-311G*

States and conformations

All results from a given calculation for C₄H₆ (Methylenecyclopropane)