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	hartrees
Energy at 0K	-155.103513
Energy at 298.15K	-155.109350
Nuclear repulsion energy	108.851825

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3145	3035	0.82
2	A₁	3143	3033	19.02
3	A₁	1845	1780	2.80
4	A₁	1530	1476	0.09
5	A₁	1501	1448	0.88
6	A₁	1070	1032	12.52
7	A₁	1021	985	1.28
8	A₁	711	686	6.15
9	A₂	3216	3103	0.00
10	A₂	1182	1140	0.00
11	A₂	987	952	0.00
12	A₂	644	621	0.00
13	B₁	3231	3117	13.44
14	B₁	1133	1093	0.00
15	B₁	957	924	48.72
16	B₁	778	751	1.75
17	B₁	324	313	5.33
18	B₂	3219	3106	12.74
19	B₂	3141	3030	9.28
20	B₂	1497	1445	2.29
21	B₂	1177	1136	12.12
22	B₂	1108	1070	5.09
23	B₂	891	860	11.43
24	B₂	370	357	0.62

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	1.638
C2	0.000	0.000	0.322
H3	0.000	0.925	2.207
H4	0.000	-0.925	2.207
C5	0.000	0.781	-0.936
C6	0.000	-0.781	-0.936
H7	0.917	1.278	-1.237
H8	-0.917	1.278	-1.237
H9	-0.917	-1.278	-1.237
H10	0.917	-1.278	-1.237

	C1	C2	H3	H4	C5	C6	H7	H8	H9	H10
C1		1.3156	1.0862	1.0862	2.6894	2.6894	3.2770	3.2770	3.2770	3.2770
C2	1.3156		2.0994	2.0994	1.4806	1.4806	2.2148	2.2148	2.2148	2.2148
H3	1.0862	2.0994		1.8507	3.1458	3.5757	3.5810	3.5810	4.1899	4.1899
H4	1.0862	2.0994	1.8507		3.5757	3.1458	4.1899	4.1899	3.5810	3.5810
C5	2.6894	1.4806	3.1458	3.5757		1.5614	1.0856	1.0856	2.2739	2.2739
C6	2.6894	1.4806	3.5757	3.1458	1.5614		2.2739	2.2739	1.0856	1.0856
H7	3.2770	2.2148	3.5810	4.1899	1.0856	2.2739		1.8330	3.1460	2.5568
H8	3.2770	2.2148	3.5810	4.1899	1.0856	2.2739	1.8330		2.5568	3.1460
H9	3.2770	2.2148	4.1899	3.5810	2.2739	1.0856	3.1460	2.5568		1.8330
H10	3.2770	2.2148	4.1899	3.5810	2.2739	1.0856	2.5568	3.1460	1.8330

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C5	148.178	C1	C2	C6	148.178
C2	C1	H3	121.581	C2	C1	H4	121.581
C2	C5	C6	58.178	C2	C5	H7	118.525
C2	C5	H8	118.525	C2	C6	C5	58.178
C2	C6	H9	118.525	C2	C6	H10	118.525
H3	C1	H4	116.838	C5	C2	C6	63.645
C5	C6	H9	117.289	C5	C6	H10	117.289
C6	C5	H7	117.289	C6	C5	H8	117.289
H7	C5	H8	115.188	H9	C6	H10	115.188

All results from a given calculation for C₄H₆ (Methylenecyclopropane)

using model chemistry: B3LYP/3-21G

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	-0.513	-0.537
2	C	-0.009	0.232
3	H	0.186	0.194
4	H	0.186	0.194
5	C	-0.354	-0.371
6	C	-0.354	-0.371
7	H	0.215	0.166
8	H	0.215	0.164
9	H	0.215	0.164
10	H	0.215	0.166

	x	y	z	Total
	0.000	0.000	-0.328	0.328
CHELPG
AIM
ESP	0.018	0.000	-0.337	0.338

<r²>	77.355
(<r²>)^1/2	8.795

All results from a given calculation for C4H6 (Methylenecyclopropane)

using model chemistry: B3LYP/3-21G

States and conformations

All results from a given calculation for C₄H₆ (Methylenecyclopropane)