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	hartrees
Energy at 0K	-155.568099
Energy at 298.15K	-155.573918
HF Energy	-154.906592
Nuclear repulsion energy	109.293277

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3181	3013	8.16
2	A₁	3170	3003	7.82
3	A₁	1872	1774	1.52
4	A₁	1513	1434	0.34
5	A₁	1470	1392	0.17
6	A₁	1088	1031	0.57
7	A₁	1068	1012	4.93
8	A₁	763	723	4.56
9	A₂	3247	3076	0.00
10	A₂	1194	1131	0.00
11	A₂	974	922	0.00
12	A₂	631	598	0.00
13	B₁	3259	3088	11.03
14	B₁	1119	1060	1.29
15	B₁	939	889	34.16
16	B₁	767	726	0.84
17	B₁	304	288	2.89
18	B₂	3266	3094	7.90
19	B₂	3166	3000	10.49
20	B₂	1476	1398	0.70
21	B₂	1169	1107	6.59
22	B₂	1103	1045	1.35
23	B₂	927	879	11.60
24	B₂	360	341	0.16

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	1.652
C2	0.000	0.000	0.307
H3	0.000	0.895	2.171
H4	0.000	-0.895	2.171
C5	0.000	0.747	-0.893
C6	0.000	-0.747	-0.893
H7	0.918	0.927	-1.346
H8	-0.918	0.927	-1.346
H9	-0.918	-0.927	-1.346
H10	0.918	-0.927	-1.346

	C1	C2	H3	H4	C5	C6	H7	H8	H9	H10
C1		1.3445	1.0352	1.0352	2.6520	2.6520	3.2692	3.2692	3.2692	3.2692
C2	1.3445		2.0679	2.0679	1.4136	1.4136	2.1059	2.1059	2.1059	2.1059
H3	1.0352	2.0679		1.7909	3.0678	3.4765	3.6353	3.6353	4.0662	4.0662
H4	1.0352	2.0679	1.7909		3.4765	3.0678	4.0662	4.0662	3.6353	3.6353
C5	2.6520	1.4136	3.0678	3.4765		1.4937	1.0396	1.0396	1.9618	1.9618
C6	2.6520	1.4136	3.4765	3.0678	1.4937		1.9618	1.9618	1.0396	1.0396
H7	3.2692	2.1059	3.6353	4.0662	1.0396	1.9618		1.8366	2.6090	1.8530
H8	3.2692	2.1059	3.6353	4.0662	1.0396	1.9618	1.8366		1.8530	2.6090
H9	3.2692	2.1059	4.0662	3.6353	1.9618	1.0396	2.6090	1.8530		1.8366
H10	3.2692	2.1059	4.0662	3.6353	1.9618	1.0396	1.8530	2.6090	1.8366

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C5	148.107	C1	C2	C6	148.107
C2	C1	H3	120.121	C2	C1	H4	120.121
C2	C5	C6	58.107	C2	C5	H7	117.472
C2	C5	H8	117.472	C2	C6	C5	58.107
C2	C6	H9	117.472	C2	C6	H10	117.472
H3	C1	H4	119.759	C5	C2	C6	63.785
C5	C6	H9	99.952	C5	C6	H10	99.952
C6	C5	H7	99.952	C6	C5	H8	99.952
H7	C5	H8	124.086	H9	C6	H10	124.086

All results from a given calculation for C₄H₆ (Methylenecyclopropane)

using model chemistry: QCISD/6-31G(2df,p)

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/6-31G(2df,p)

States and conformations

All results from a given calculation for C₄H₆ (Methylenecyclopropane)