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	hartrees
Energy at 0K	-155.455772
Energy at 298.15K	-155.461569
HF Energy	-154.886197
Nuclear repulsion energy	109.092161

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3171	3012	13.07
2	A₁	3157	2999	10.10
3	A₁	1882	1788	1.02
4	A₁	1536	1459	0.03
5	A₁	1487	1413	0.23
6	A₁	1102	1047	0.02
7	A₁	1084	1030	7.47
8	A₁	766	727	5.30
9	A₂	3228	3066	0.00
10	A₂	1204	1144	0.00
11	A₂	982	933	0.00
12	A₂	635	603	0.00
13	B₁	3240	3077	19.54
14	B₁	1132	1075	0.91
15	B₁	915	869	39.22
16	B₁	784	745	0.71
17	B₁	289	275	3.18
18	B₂	3251	3088	13.62
19	B₂	3154	2995	14.65
20	B₂	1501	1426	0.77
21	B₂	1182	1123	7.53
22	B₂	1116	1060	3.41
23	B₂	935	888	11.11
24	B₂	360	342	0.27

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	1.654
C2	0.000	0.000	0.307
H3	0.000	0.896	2.174
H4	0.000	-0.896	2.174
C5	0.000	0.746	-0.894
C6	0.000	-0.746	-0.894
H7	0.919	0.926	-1.348
H8	-0.919	0.926	-1.348
H9	-0.919	-0.926	-1.348
H10	0.919	-0.926	-1.348

	C1	C2	H3	H4	C5	C6	H7	H8	H9	H10
C1		1.3469	1.0360	1.0360	2.6547	2.6547	3.2728	3.2728	3.2728	3.2728
C2	1.3469		2.0710	2.0710	1.4138	1.4138	2.1070	2.1070	2.1070	2.1070
H3	1.0360	2.0710		1.7917	3.0716	3.4798	3.6398	3.6398	4.0702	4.0702
H4	1.0360	2.0710	1.7917		3.4798	3.0716	4.0702	4.0702	3.6398	3.6398
C5	2.6547	1.4138	3.0716	3.4798		1.4926	1.0402	1.0402	1.9614	1.9614
C6	2.6547	1.4138	3.4798	3.0716	1.4926		1.9614	1.9614	1.0402	1.0402
H7	3.2728	2.1070	3.6398	4.0702	1.0402	1.9614		1.8371	2.6089	1.8524
H8	3.2728	2.1070	3.6398	4.0702	1.0402	1.9614	1.8371		1.8524	2.6089
H9	3.2728	2.1070	4.0702	3.6398	1.9614	1.0402	2.6089	1.8524		1.8371
H10	3.2728	2.1070	4.0702	3.6398	1.9614	1.0402	1.8524	2.6089	1.8371

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C5	148.137	C1	C2	C6	148.137
C2	C1	H3	120.144	C2	C1	H4	120.144
C2	C5	C6	58.137	C2	C5	H7	117.508
C2	C5	H8	117.508	C2	C6	C5	58.137
C2	C6	H9	117.508	C2	C6	H10	117.508
H3	C1	H4	119.711	C5	C2	C6	63.726
C5	C6	H9	99.958	C5	C6	H10	99.958
C6	C5	H7	99.958	C6	C5	H8	99.958
H7	C5	H8	124.015	H9	C6	H10	124.015

All results from a given calculation for C₄H₆ (Methylenecyclopropane)

using model chemistry: CCSD=FULL/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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All results from a given calculation for C4H6 (Methylenecyclopropane)

using model chemistry: CCSD=FULL/6-31G*

States and conformations

All results from a given calculation for C₄H₆ (Methylenecyclopropane)