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	hartrees
Energy at 0K	-155.491398
Energy at 298.15K	-155.497144
HF Energy	-154.912954
Nuclear repulsion energy	108.848503

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3138	3004	13.43
2	A₁	3126	2993	10.99
3	A₁	1852	1773	2.27
4	A₁	1510	1446	0.02
5	A₁	1461	1399	1.24
6	A₁	1077	1031	0.12
7	A₁	1063	1018	8.29
8	A₁	750	718	6.28
9	A₂	3201	3064	0.00
10	A₂	1190	1139	0.00
11	A₂	967	926	0.00
12	A₂	625	599	0.00
13	B₁	3213	3076	20.96
14	B₁	1116	1068	2.08
15	B₁	880	843	44.47
16	B₁	769	736	0.88
17	B₁	279	267	4.97
18	B₂	3224	3087	13.84
19	B₂	3121	2989	16.60
20	B₂	1476	1413	2.09
21	B₂	1160	1111	7.38
22	B₂	1090	1044	3.53
23	B₂	918	879	12.71
24	B₂	352	337	0.38

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	1.647
C2	0.000	0.000	0.319
H3	0.000	0.930	2.212
H4	0.000	-0.930	2.212
C5	0.000	0.772	-0.938
C6	0.000	-0.772	-0.938
H7	0.916	1.276	-1.242
H8	-0.916	1.276	-1.242
H9	-0.916	-1.276	-1.242
H10	0.916	-1.276	-1.242

	C1	C2	H3	H4	C5	C6	H7	H8	H9	H10
C1		1.3280	1.0884	1.0884	2.6974	2.6974	3.2881	3.2881	3.2881	3.2881
C2	1.3280		2.1092	2.1092	1.4748	1.4748	2.2143	2.2143	2.2143	2.2143
H3	1.0884	2.1092		1.8606	3.1534	3.5802	3.5897	3.5897	4.1993	4.1993
H4	1.0884	2.1092	1.8606		3.5802	3.1534	4.1993	4.1993	3.5897	3.5897
C5	2.6974	1.4748	3.1534	3.5802		1.5446	1.0889	1.0889	2.2643	2.2643
C6	2.6974	1.4748	3.5802	3.1534	1.5446		2.2643	2.2643	1.0889	1.0889
H7	3.2881	2.2143	3.5897	4.1993	1.0889	2.2643		1.8325	3.1415	2.5517
H8	3.2881	2.2143	3.5897	4.1993	1.0889	2.2643	1.8325		2.5517	3.1415
H9	3.2881	2.2143	4.1993	3.5897	2.2643	1.0889	3.1415	2.5517		1.8325
H10	3.2881	2.2143	4.1993	3.5897	2.2643	1.0889	2.5517	3.1415	1.8325

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C5	148.423	C1	C2	C6	148.423
C2	C1	H3	121.269	C2	C1	H4	121.269
C2	C5	C6	58.423	C2	C5	H7	118.695
C2	C5	H8	118.695	C2	C6	C5	58.423
C2	C6	H9	118.695	C2	C6	H10	118.695
H3	C1	H4	117.461	C5	C2	C6	63.154
C5	C6	H9	117.546	C5	C6	H10	117.546
C6	C5	H7	117.546	C6	C5	H8	117.546
H7	C5	H8	114.594	H9	C6	H10	114.594

All results from a given calculation for C₄H₆ (Methylenecyclopropane)

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

using model chemistry: QCISD/6-311G*

States and conformations

All results from a given calculation for C₄H₆ (Methylenecyclopropane)