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	hartrees
Energy at 0K	-154.947698
Energy at 298.15K	-154.953735
HF Energy	-154.947698
Nuclear repulsion energy	110.277028

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3272	2966	13.00
2	A₁	3256	2951	16.20
3	A₁	1968	1783	10.47
4	A₁	1612	1461	1.43
5	A₁	1562	1416	0.46
6	A₁	1159	1050	0.00
7	A₁	1126	1020	4.72
8	A₁	793	719	10.35
9	A₂	3324	3013	0.00
10	A₂	1271	1152	0.00
11	A₂	1038	941	0.00
12	A₂	672	609	0.00
13	B₁	3338	3026	20.83
14	B₁	1198	1086	2.43
15	B₁	1049	950	53.92
16	B₁	810	735	1.91
17	B₁	339	308	5.63
18	B₂	3351	3037	13.17
19	B₂	3251	2947	21.64
20	B₂	1572	1425	1.80
21	B₂	1240	1124	7.22
22	B₂	1197	1085	0.38
23	B₂	970	879	18.46
24	B₂	387	351	0.20

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	1.644
C2	0.000	0.000	0.308
H3	0.000	0.893	2.162
H4	0.000	-0.893	2.162
C5	0.000	0.746	-0.890
C6	0.000	-0.746	-0.890
H7	0.915	0.929	-1.340
H8	-0.915	0.929	-1.340
H9	-0.915	-0.929	-1.340
H10	0.915	-0.929	-1.340

	C1	C2	H3	H4	C5	C6	H7	H8	H9	H10
C1		1.3368	1.0317	1.0317	2.6414	2.6414	3.2568	3.2568	3.2568	3.2568
C2	1.3368		2.0579	2.0579	1.4104	1.4104	2.1011	2.1011	2.1011	2.1011
H3	1.0317	2.0579		1.7851	3.0550	3.4634	3.6197	3.6197	4.0519	4.0519
H4	1.0317	2.0579	1.7851		3.4634	3.0550	4.0519	4.0519	3.6197	3.6197
C5	2.6414	1.4104	3.0550	3.4634		1.4914	1.0360	1.0360	1.9606	1.9606
C6	2.6414	1.4104	3.4634	3.0550	1.4914		1.9606	1.9606	1.0360	1.0360
H7	3.2568	2.1011	3.6197	4.0519	1.0360	1.9606		1.8296	2.6073	1.8576
H8	3.2568	2.1011	3.6197	4.0519	1.0360	1.9606	1.8296		1.8576	2.6073
H9	3.2568	2.1011	4.0519	3.6197	1.9606	1.0360	2.6073	1.8576		1.8296
H10	3.2568	2.1011	4.0519	3.6197	1.9606	1.0360	1.8576	2.6073	1.8296

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C5	148.082	C1	C2	C6	148.082
C2	C1	H3	120.105	C2	C1	H4	120.105
C2	C5	C6	58.082	C2	C5	H7	117.552
C2	C5	H8	117.552	C2	C6	C5	58.082
C2	C6	H9	117.552	C2	C6	H10	117.552
H3	C1	H4	119.791	C5	C2	C6	63.837
C5	C6	H9	100.180	C5	C6	H10	100.180
C6	C5	H7	100.180	C6	C5	H8	100.180
H7	C5	H8	124.009	H9	C6	H10	124.009

All results from a given calculation for C₄H₆ (Methylenecyclopropane)

using model chemistry: HF/Def2TZVPP

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	-0.144
2	C	-0.099
3	H	0.070
4	H	0.070
5	C	-0.046
6	C	-0.046
7	H	0.049
8	H	0.049
9	H	0.049
10	H	0.049

<r²>	76.116
(<r²>)^1/2	8.724

All results from a given calculation for C4H6 (Methylenecyclopropane)

using model chemistry: HF/Def2TZVPP

States and conformations

All results from a given calculation for C₄H₆ (Methylenecyclopropane)