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	hartrees
Energy at 0K	-155.918062
Energy at 298.15K	-155.923739
HF Energy	-155.918062
Nuclear repulsion energy	109.331096

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3068	3021	16.26
2	A₁	3051	3004	19.85
3	A₁	1788	1761	8.90
4	A₁	1453	1431	0.22
5	A₁	1416	1394	0.32
6	A₁	1046	1030	3.08
7	A₁	1003	988	3.16
8	A₁	740	729	4.59
9	A₂	3120	3072	0.00
10	A₂	1143	1126	0.00
11	A₂	938	923	0.00
12	A₂	602	593	0.00
13	B₁	3134	3086	18.94
14	B₁	1071	1055	2.41
15	B₁	886	872	42.00
16	B₁	739	728	2.29
17	B₁	276	272	4.29
18	B₂	3146	3098	15.07
19	B₂	3051	3004	21.46
20	B₂	1419	1397	2.07
21	B₂	1121	1103	5.04
22	B₂	1042	1026	0.90
23	B₂	892	879	14.22
24	B₂	348	342	0.25

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	1.637
C2	0.000	0.000	0.315
H3	0.000	0.929	2.203
H4	0.000	-0.929	2.203
C5	0.000	0.769	-0.932
C6	0.000	-0.769	-0.932
H7	0.914	1.274	-1.235
H8	-0.914	1.274	-1.235
H9	-0.914	-1.274	-1.235
H10	0.914	-1.274	-1.235

	C1	C2	H3	H4	C5	C6	H7	H8	H9	H10
C1		1.3221	1.0880	1.0880	2.6814	2.6814	3.2728	3.2728	3.2728	3.2728
C2	1.3221		2.1041	2.1041	1.4647	1.4647	2.2053	2.2053	2.2053	2.2053
H3	1.0880	2.1041		1.8589	3.1385	3.5648	3.5743	3.5743	4.1848	4.1848
H4	1.0880	2.1041	1.8589		3.5648	3.1385	4.1848	4.1848	3.5743	3.5743
C5	2.6814	1.4647	3.1385	3.5648		1.5376	1.0880	1.0880	2.2587	2.2587
C6	2.6814	1.4647	3.5648	3.1385	1.5376		2.2587	2.2587	1.0880	1.0880
H7	3.2728	2.2053	3.5743	4.1848	1.0880	2.2587		1.8287	3.1364	2.5482
H8	3.2728	2.2053	3.5743	4.1848	1.0880	2.2587	1.8287		2.5482	3.1364
H9	3.2728	2.2053	4.1848	3.5743	2.2587	1.0880	3.1364	2.5482		1.8287
H10	3.2728	2.2053	4.1848	3.5743	2.2587	1.0880	2.5482	3.1364	1.8287

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C5	148.340	C1	C2	C6	148.340
C2	C1	H3	121.319	C2	C1	H4	121.319
C2	C5	C6	58.340	C2	C5	H7	118.781
C2	C5	H8	118.781	C2	C6	C5	58.340
C2	C6	H9	118.781	C2	C6	H10	118.781
H3	C1	H4	117.361	C5	C2	C6	63.320
C5	C6	H9	117.676	C5	C6	H10	117.676
C6	C5	H7	117.676	C6	C5	H8	117.676
H7	C5	H8	114.369	H9	C6	H10	114.369

All results from a given calculation for C₄H₆ (Methylenecyclopropane)

using model chemistry: B97D3/aug-cc-pVTZ

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	-0.337
2	C	0.631
3	H	0.212
4	H	0.212
5	C	-0.641
6	C	-0.641
7	H	0.141
8	H	0.141
9	H	0.141
10	H	0.141

<r²>	77.202
(<r²>)^1/2	8.786

All results from a given calculation for C4H6 (Methylenecyclopropane)

using model chemistry: B97D3/aug-cc-pVTZ

States and conformations

All results from a given calculation for C₄H₆ (Methylenecyclopropane)