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	hartrees
Energy at 0K	-155.912899
Energy at 298.15K	-155.918564
HF Energy	-155.912899
Nuclear repulsion energy	109.307071

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3063	3023	17.00
2	A₁	3045	3005	19.33
3	A₁	1787	1764	8.84
4	A₁	1452	1433	0.20
5	A₁	1415	1397	0.35
6	A₁	1045	1032	3.25
7	A₁	1005	992	3.21
8	A₁	739	729	4.73
9	A₂	3114	3074	0.00
10	A₂	1143	1128	0.00
11	A₂	938	925	0.00
12	A₂	602	594	0.00
13	B₁	3128	3087	18.95
14	B₁	1070	1056	2.54
15	B₁	886	874	43.52
16	B₁	739	730	2.19
17	B₁	274	271	4.39
18	B₂	3142	3101	15.14
19	B₂	3045	3006	20.81
20	B₂	1420	1401	2.20
21	B₂	1119	1105	5.27
22	B₂	1044	1030	0.98
23	B₂	892	881	14.30
24	B₂	346	341	0.28

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	1.637
C2	0.000	0.000	0.315
H3	0.000	0.929	2.204
H4	0.000	-0.929	2.204
C5	0.000	0.769	-0.932
C6	0.000	-0.769	-0.932
H7	0.914	1.275	-1.236
H8	-0.914	1.275	-1.236
H9	-0.914	-1.275	-1.236
H10	0.914	-1.275	-1.236

	C1	C2	H3	H4	C5	C6	H7	H8	H9	H10
C1		1.3223	1.0880	1.0880	2.6815	2.6815	3.2736	3.2736	3.2736	3.2736
C2	1.3223		2.1047	2.1047	1.4648	1.4648	2.2060	2.2060	2.2060	2.2060
H3	1.0880	2.1047		1.8582	3.1391	3.5655	3.5754	3.5754	4.1861	4.1861
H4	1.0880	2.1047	1.8582		3.5655	3.1391	4.1861	4.1861	3.5754	3.5754
C5	2.6815	1.4648	3.1391	3.5655		1.5385	1.0882	1.0882	2.2602	2.2602
C6	2.6815	1.4648	3.5655	3.1391	1.5385		2.2602	2.2602	1.0882	1.0882
H7	3.2736	2.2060	3.5754	4.1861	1.0882	2.2602		1.8281	3.1381	2.5506
H8	3.2736	2.2060	3.5754	4.1861	1.0882	2.2602	1.8281		2.5506	3.1381
H9	3.2736	2.2060	4.1861	3.5754	2.2602	1.0882	3.1381	2.5506		1.8281
H10	3.2736	2.2060	4.1861	3.5754	2.2602	1.0882	2.5506	3.1381	1.8281

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C5	148.076	C1	C2	C6	148.076
C2	C1	H3	120.117	C2	C1	H4	120.117
C2	C5	C6	58.076	C2	C5	H7	117.489
C2	C5	H8	117.489	C2	C6	C5	58.076
C2	C6	H9	117.489	C2	C6	H10	117.489
H3	C1	H4	119.766	C5	C2	C6	63.848
C5	C6	H9	99.960	C5	C6	H10	99.960
C6	C5	H7	99.960	C6	C5	H8	99.960
H7	C5	H8	124.044	H9	C6	H10	124.044

All results from a given calculation for C₄H₆ (Methylenecyclopropane)

using model chemistry: B97D3/6-311+G(3df,2p)

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	-0.612
2	C	0.425
3	H	0.131
4	H	0.131
5	C	-0.320
6	C	-0.320
7	H	0.141
8	H	0.141
9	H	0.141
10	H	0.141

<r²>	77.227
(<r²>)^1/2	8.788

All results from a given calculation for C4H6 (Methylenecyclopropane)

using model chemistry: B97D3/6-311+G(3df,2p)

States and conformations

All results from a given calculation for C₄H₆ (Methylenecyclopropane)