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	hartrees
Energy at 0K	-155.785758
Energy at 298.15K	-155.791386
Nuclear repulsion energy	108.867313

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3059	3032	14.05
2	A₁	3039	3011	14.05
3	A₁	1794	1778	8.08
4	A₁	1429	1416	0.01
5	A₁	1391	1378	1.17
6	A₁	1050	1041	2.85
7	A₁	989	980	6.75
8	A₁	736	730	4.22
9	A₂	3109	3081	0.00
10	A₂	1126	1116	0.00
11	A₂	924	916	0.00
12	A₂	593	588	0.00
13	B₁	3122	3094	16.84
14	B₁	1055	1046	1.20
15	B₁	868	861	39.45
16	B₁	730	723	2.17
17	B₁	274	271	4.95
18	B₂	3141	3113	13.23
19	B₂	3038	3011	17.13
20	B₂	1395	1382	2.77
21	B₂	1104	1094	7.44
22	B₂	1021	1012	2.66
23	B₂	881	873	13.30
24	B₂	345	342	0.42

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	1.643
C2	0.000	0.000	0.317
H3	0.000	0.934	2.211
H4	0.000	-0.934	2.211
C5	0.000	0.772	-0.935
C6	0.000	-0.772	-0.935
H7	0.918	1.282	-1.241
H8	-0.918	1.282	-1.241
H9	-0.918	-1.282	-1.241
H10	0.918	-1.282	-1.241

	C1	C2	H3	H4	C5	C6	H7	H8	H9	H10
C1		1.3267	1.0934	1.0934	2.6915	2.6915	3.2872	3.2872	3.2872	3.2872
C2	1.3267		2.1126	2.1126	1.4705	1.4705	2.2164	2.2164	2.2164	2.2164
H3	1.0934	2.1126		1.8685	3.1506	3.5792	3.5894	3.5894	4.2039	4.2039
H4	1.0934	2.1126	1.8685		3.5792	3.1506	4.2039	4.2039	3.5894	3.5894
C5	2.6915	1.4705	3.1506	3.5792		1.5436	1.0941	1.0941	2.2701	2.2701
C6	2.6915	1.4705	3.5792	3.1506	1.5436		2.2701	2.2701	1.0941	1.0941
H7	3.2872	2.2164	3.5894	4.2039	1.0941	2.2701		1.8369	3.1533	2.5630
H8	3.2872	2.2164	3.5894	4.2039	1.0941	2.2701	1.8369		2.5630	3.1533
H9	3.2872	2.2164	4.2039	3.5894	2.2701	1.0941	3.1533	2.5630		1.8369
H10	3.2872	2.2164	4.2039	3.5894	2.2701	1.0941	2.5630	3.1533	1.8369

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C5	148.343	C1	C2	C6	148.343
C2	C1	H3	121.299	C2	C1	H4	121.299
C2	C5	C6	58.343	C2	C5	H7	118.853
C2	C5	H8	118.853	C2	C6	C5	58.343
C2	C6	H9	118.853	C2	C6	H10	118.853
H3	C1	H4	117.402	C5	C2	C6	63.314
C5	C6	H9	117.768	C5	C6	H10	117.768
C6	C5	H7	117.768	C6	C5	H8	117.768
H7	C5	H8	114.172	H9	C6	H10	114.172

All results from a given calculation for C₄H₆ (Methylenecyclopropane)

using model chemistry: PBEPBE/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	-0.239
2	C	-0.056
3	H	0.111
4	H	0.111
5	C	-0.248
6	C	-0.248
7	H	0.142
8	H	0.142
9	H	0.142
10	H	0.142

<r²>	77.578
(<r²>)^1/2	8.808

All results from a given calculation for C4H6 (Methylenecyclopropane)

using model chemistry: PBEPBE/6-311G**

States and conformations

All results from a given calculation for C₄H₆ (Methylenecyclopropane)