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	hartrees
Energy at 0K	-155.932012
Energy at 298.15K	-155.937790
Nuclear repulsion energy	109.507987

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3174	3020	11.45
2	A₁	3150	2997	11.44
3	A₁	1881	1790	5.61
4	A₁	1502	1429	0.04
5	A₁	1457	1387	0.39
6	A₁	1099	1046	2.18
7	A₁	1053	1002	5.36
8	A₁	772	734	5.09
9	A₂	3226	3070	0.00
10	A₂	1180	1123	0.00
11	A₂	965	918	0.00
12	A₂	619	589	0.00
13	B₁	3238	3081	14.76
14	B₁	1106	1052	0.38
15	B₁	921	877	41.12
16	B₁	762	725	1.66
17	B₁	298	284	3.26
18	B₂	3263	3104	11.22
19	B₂	3149	2996	14.35
20	B₂	1463	1392	1.31
21	B₂	1158	1102	8.78
22	B₂	1084	1031	2.96
23	B₂	922	877	12.13
24	B₂	357	339	0.33

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	1.636
C2	0.000	0.000	0.316
H3	0.000	0.927	2.200
H4	0.000	-0.927	2.200
C5	0.000	0.766	-0.931
C6	0.000	-0.766	-0.931
H7	0.912	1.273	-1.234
H8	-0.912	1.273	-1.234
H9	-0.912	-1.273	-1.234
H10	0.912	-1.273	-1.234

	C1	C2	H3	H4	C5	C6	H7	H8	H9	H10
C1		1.3194	1.0853	1.0853	2.6787	2.6787	3.2695	3.2695	3.2695	3.2695
C2	1.3194		2.0995	2.0995	1.4637	1.4637	2.2038	2.2038	2.2038	2.2038
H3	1.0853	2.0995		1.8543	3.1354	3.5595	3.5702	3.5702	4.1794	4.1794
H4	1.0853	2.0995	1.8543		3.5595	3.1354	4.1794	4.1794	3.5702	3.5702
C5	2.6787	1.4637	3.1354	3.5595		1.5310	1.0867	1.0867	2.2537	2.2537
C6	2.6787	1.4637	3.5595	3.1354	1.5310		2.2537	2.2537	1.0867	1.0867
H7	3.2695	2.2038	3.5702	4.1794	1.0867	2.2537		1.8237	3.1319	2.5461
H8	3.2695	2.2038	3.5702	4.1794	1.0867	2.2537	1.8237		2.5461	3.1319
H9	3.2695	2.2038	4.1794	3.5702	2.2537	1.0867	3.1319	2.5461		1.8237
H10	3.2695	2.2038	4.1794	3.5702	2.2537	1.0867	2.5461	3.1319	1.8237

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C5	148.467	C1	C2	C6	148.467
C2	C1	H3	121.326	C2	C1	H4	121.326
C2	C5	C6	58.467	C2	C5	H7	118.817
C2	C5	H8	118.817	C2	C6	C5	58.467
C2	C6	H9	118.817	C2	C6	H10	118.817
H3	C1	H4	117.348	C5	C2	C6	63.067
C5	C6	H9	117.843	C5	C6	H10	117.843
C6	C5	H7	117.843	C6	C5	H8	117.843
H7	C5	H8	114.087	H9	C6	H10	114.087

All results from a given calculation for C₄H₆ (Methylenecyclopropane)

using model chemistry: mPW1PW91/6-31G**

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	-0.380
2	C	0.138
3	H	0.129
4	H	0.129
5	C	-0.315
6	C	-0.315
7	H	0.154
8	H	0.154
9	H	0.154
10	H	0.154

<r²>	76.483
(<r²>)^1/2	8.745

All results from a given calculation for C4H6 (Methylenecyclopropane)

using model chemistry: mPW1PW91/6-31G**

States and conformations

All results from a given calculation for C₄H₆ (Methylenecyclopropane)