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	hartrees
Energy at 0K	-155.561070
Energy at 298.15K	-155.566900
HF Energy	-154.907043
Nuclear repulsion energy	109.790430

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3212	3019	6.16
2	A₁	3197	3005	4.30
3	A₁	1877	1764	0.82
4	A₁	1509	1419	0.14
5	A₁	1468	1379	0.39
6	A₁	1100	1034	2.33
7	A₁	1051	988	5.47
8	A₁	777	731	3.62
9	A₂	3285	3088	0.00
10	A₂	1199	1127	0.00
11	A₂	982	923	0.00
12	A₂	631	593	0.00
13	B₁	3296	3098	4.79
14	B₁	1121	1053	0.83
15	B₁	934	878	34.91
16	B₁	771	725	1.24
17	B₁	306	287	3.05
18	B₂	3307	3108	4.63
19	B₂	3196	3004	5.92
20	B₂	1473	1384	1.22
21	B₂	1169	1098	7.37
22	B₂	1084	1019	1.87
23	B₂	936	879	11.25
24	B₂	361	340	0.25

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	1.649
C2	0.000	0.000	0.306
H3	0.000	0.895	2.168
H4	0.000	-0.895	2.168
C5	0.000	0.747	-0.891
C6	0.000	-0.747	-0.891
H7	0.918	0.927	-1.344
H8	-0.918	0.927	-1.344
H9	-0.918	-0.927	-1.344
H10	0.918	-0.927	-1.344

	C1	C2	H3	H4	C5	C6	H7	H8	H9	H10
C1		1.3428	1.0350	1.0350	2.6478	2.6478	3.2648	3.2648	3.2648	3.2648
C2	1.3428		2.0659	2.0659	1.4114	1.4114	2.1035	2.1035	2.1035	2.1035
H3	1.0350	2.0659		1.7909	3.0628	3.4722	3.6300	3.6300	4.0616	4.0616
H4	1.0350	2.0659	1.7909		3.4722	3.0628	4.0616	4.0616	3.6300	3.6300
C5	2.6478	1.4114	3.0628	3.4722		1.4939	1.0390	1.0390	1.9619	1.9619
C6	2.6478	1.4114	3.4722	3.0628	1.4939		1.9619	1.9619	1.0390	1.0390
H7	3.2648	2.1035	3.6300	4.0616	1.0390	1.9619		1.8355	2.6088	1.8539
H8	3.2648	2.1035	3.6300	4.0616	1.0390	1.9619	1.8355		1.8539	2.6088
H9	3.2648	2.1035	4.0616	3.6300	1.9619	1.0390	2.6088	1.8539		1.8355
H10	3.2648	2.1035	4.0616	3.6300	1.9619	1.0390	1.8539	2.6088	1.8355

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C5	148.047	C1	C2	C6	148.047
C2	C1	H3	120.094	C2	C1	H4	120.094
C2	C5	C6	58.047	C2	C5	H7	117.473
C2	C5	H8	117.473	C2	C6	C5	58.047
C2	C6	H9	117.473	C2	C6	H10	117.473
H3	C1	H4	119.811	C5	C2	C6	63.906
C5	C6	H9	99.977	C5	C6	H10	99.977
C6	C5	H7	99.977	C6	C5	H8	99.977
H7	C5	H8	124.083	H9	C6	H10	124.083

All results from a given calculation for C₄H₆ (Methylenecyclopropane)

using model chemistry: MP2=FULL/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: MP2=FULL/6-31G(2df,p)

States and conformations

All results from a given calculation for C₄H₆ (Methylenecyclopropane)