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	hartrees
Energy at 0K	-155.905967
Energy at 298.15K	-155.911714
Nuclear repulsion energy	109.286277

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3160	3023	14.08
2	A₁	3134	2998	13.51
3	A₁	1867	1786	4.62
4	A₁	1507	1442	0.04
5	A₁	1465	1401	0.21
6	A₁	1093	1046	1.99
7	A₁	1050	1005	5.45
8	A₁	766	733	5.12
9	A₂	3205	3066	0.00
10	A₂	1180	1128	0.00
11	A₂	966	925	0.00
12	A₂	618	592	0.00
13	B₁	3217	3078	18.71
14	B₁	1106	1058	0.29
15	B₁	913	873	42.58
16	B₁	763	730	1.59
17	B₁	294	281	3.07
18	B₂	3241	3100	13.87
19	B₂	3133	2997	17.04
20	B₂	1470	1407	0.98
21	B₂	1156	1106	8.60
22	B₂	1080	1033	3.28
23	B₂	918	878	12.12
24	B₂	353	338	0.34

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	1.639
C2	0.000	0.000	0.317
H3	0.000	0.928	2.207
H4	0.000	-0.928	2.207
C5	0.000	0.767	-0.933
C6	0.000	-0.767	-0.933
H7	0.913	1.276	-1.238
H8	-0.913	1.276	-1.238
H9	-0.913	-1.276	-1.238
H10	0.913	-1.276	-1.238

	C1	C2	H3	H4	C5	C6	H7	H8	H9	H10
C1		1.3217	1.0880	1.0880	2.6838	2.6838	3.2771	3.2771	3.2771	3.2771
C2	1.3217		2.1053	2.1053	1.4666	1.4666	2.2094	2.2094	2.2094	2.2094
H3	1.0880	2.1053		1.8557	3.1442	3.5681	3.5810	3.5810	4.1905	4.1905
H4	1.0880	2.1053	1.8557		3.5681	3.1442	4.1905	4.1905	3.5810	3.5810
C5	2.6838	1.4666	3.1442	3.5681		1.5332	1.0893	1.0893	2.2583	2.2583
C6	2.6838	1.4666	3.5681	3.1442	1.5332		2.2583	2.2583	1.0893	1.0893
H7	3.2771	2.2094	3.5810	4.1905	1.0893	2.2583		1.8264	3.1385	2.5524
H8	3.2771	2.2094	3.5810	4.1905	1.0893	2.2583	1.8264		2.5524	3.1385
H9	3.2771	2.2094	4.1905	3.5810	2.2583	1.0893	3.1385	2.5524		1.8264
H10	3.2771	2.2094	4.1905	3.5810	2.2583	1.0893	2.5524	3.1385	1.8264

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C5	148.484	C1	C2	C6	148.484
C2	C1	H3	121.476	C2	C1	H4	121.476
C2	C5	C6	58.484	C2	C5	H7	118.896
C2	C5	H8	118.896	C2	C6	C5	58.484
C2	C6	H9	118.896	C2	C6	H10	118.896
H3	C1	H4	117.048	C5	C2	C6	63.031
C5	C6	H9	117.891	C5	C6	H10	117.891
C6	C5	H7	117.891	C6	C5	H8	117.891
H7	C5	H8	113.926	H9	C6	H10	113.926

All results from a given calculation for C₄H₆ (Methylenecyclopropane)

using model chemistry: B3PW91/6-31G*

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	ESP
1	C	-0.487	-0.540
2	C	0.207	0.248
3	H	0.166	0.187
4	H	0.166	0.187
5	C	-0.404	-0.347
6	C	-0.404	-0.347
7	H	0.189	0.155
8	H	0.189	0.152
9	H	0.189	0.152
10	H	0.189	0.155

	x	y	z	Total
	0.000	0.000	-0.422	0.422
CHELPG
AIM
ESP	0.023	0.000	-0.441	0.441

<r²>	76.772
(<r²>)^1/2	8.762

All results from a given calculation for C4H6 (Methylenecyclopropane)

using model chemistry: B3PW91/6-31G*

States and conformations

All results from a given calculation for C₄H₆ (Methylenecyclopropane)