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	hartrees
Energy at 0K	-155.015381
Energy at 298.15K	-155.021242
Nuclear repulsion energy	109.214995

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3168	3030	2.23
2	A₁	3164	3027	13.56
3	A₁	1868	1787	3.30
4	A₁	1522	1456	0.04
5	A₁	1492	1428	1.70
6	A₁	1075	1028	15.99
7	A₁	1043	997	1.46
8	A₁	735	703	6.25
9	A₂	3244	3104	0.00
10	A₂	1183	1132	0.00
11	A₂	982	940	0.00
12	A₂	638	611	0.00
13	B₁	3259	3118	9.62
14	B₁	1132	1083	0.04
15	B₁	962	920	53.13
16	B₁	780	746	2.31
17	B₁	332	318	6.54
18	B₂	3245	3104	10.68
19	B₂	3164	3027	7.22
20	B₂	1487	1422	3.60
21	B₂	1178	1127	13.88
22	B₂	1113	1065	6.52
23	B₂	906	866	10.27
24	B₂	369	353	0.85

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	1.634
C2	0.000	0.000	0.321
H3	0.000	0.925	2.200
H4	0.000	-0.925	2.200
C5	0.000	0.775	-0.933
C6	0.000	-0.775	-0.933
H7	0.916	1.272	-1.233
H8	-0.916	1.272	-1.233
H9	-0.916	-1.272	-1.233
H10	0.916	-1.272	-1.233

	C1	C2	H3	H4	C5	C6	H7	H8	H9	H10
C1		1.3128	1.0848	1.0848	2.6819	2.6819	3.2671	3.2671	3.2671	3.2671
C2	1.3128		2.0946	2.0946	1.4749	1.4749	2.2071	2.2071	2.2071	2.2071
H3	1.0848	2.0946		1.8505	3.1374	3.5655	3.5698	3.5698	4.1775	4.1775
H4	1.0848	2.0946	1.8505		3.5655	3.1374	4.1775	4.1775	3.5698	3.5698
C5	2.6819	1.4749	3.1374	3.5655		1.5505	1.0841	1.0841	2.2627	2.2627
C6	2.6819	1.4749	3.5655	3.1374	1.5505		2.2627	2.2627	1.0841	1.0841
H7	3.2671	2.2071	3.5698	4.1775	1.0841	2.2627		1.8320	3.1350	2.5440
H8	3.2671	2.2071	3.5698	4.1775	1.0841	2.2627	1.8320		2.5440	3.1350
H9	3.2671	2.2071	4.1775	3.5698	2.2627	1.0841	3.1350	2.5440		1.8320
H10	3.2671	2.2071	4.1775	3.5698	2.2627	1.0841	2.5440	3.1350	1.8320

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C5	148.289	C1	C2	C6	148.289
C2	C1	H3	121.472	C2	C1	H4	121.472
C2	C5	C6	58.289	C2	C5	H7	118.393
C2	C5	H8	118.393	C2	C6	C5	58.289
C2	C6	H9	118.393	C2	C6	H10	118.393
H3	C1	H4	117.057	C5	C2	C6	63.422
C5	C6	H9	117.272	C5	C6	H10	117.272
C6	C5	H7	117.272	C6	C5	H8	117.272
H7	C5	H8	115.333	H9	C6	H10	115.333

All results from a given calculation for C₄H₆ (Methylenecyclopropane)

using model chemistry: B1B95/3-21G

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
1	C	-0.540
2	C	-0.045
3	H	0.205
4	H	0.205
5	C	-0.385
6	C	-0.385
7	H	0.236
8	H	0.236
9	H	0.236
10	H	0.236

<r²>	76.841
(<r²>)^1/2	8.766

All results from a given calculation for C4H6 (Methylenecyclopropane)

using model chemistry: B1B95/3-21G

States and conformations

All results from a given calculation for C₄H₆ (Methylenecyclopropane)