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	hartrees
Energy at 0K	-155.959869
Energy at 298.15K	-155.965660
HF Energy	-155.959869
Nuclear repulsion energy	109.693307

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3153	3011	10.03
2	A₁	3143	3002	10.88
3	A₁	1868	1784	10.47
4	A₁	1496	1428	0.08
5	A₁	1454	1389	1.56
6	A₁	1071	1022	3.40
7	A₁	1046	999	6.18
8	A₁	751	717	7.51
9	A₂	3221	3076	0.00
10	A₂	1179	1126	0.00
11	A₂	962	919	0.00
12	A₂	628	600	0.00
13	B₁	3233	3087	11.36
14	B₁	1106	1057	1.43
15	B₁	940	898	51.48
16	B₁	775	741	2.49
17	B₁	294	281	5.01
18	B₂	3241	3095	8.84
19	B₂	3141	3000	13.86
20	B₂	1459	1394	3.19
21	B₂	1154	1102	8.70
22	B₂	1083	1034	1.96
23	B₂	906	866	17.04
24	B₂	356	340	0.40

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	1.648
C2	0.000	0.000	0.307
H3	0.000	0.896	2.167
H4	0.000	-0.896	2.167
C5	0.000	0.746	-0.891
C6	0.000	-0.746	-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		1.3411	1.0351	1.0351	2.6467	2.6467	3.2641	3.2641	3.2641	3.2641
C2	1.3411		2.0644	2.0644	1.4115	1.4115	2.1042	2.1042	2.1042	2.1042
H3	1.0351	2.0644		1.7914	3.0619	3.4710	3.6291	3.6291	4.0609	4.0609
H4	1.0351	2.0644	1.7914		3.4710	3.0619	4.0609	4.0609	3.6291	3.6291
C5	2.6467	1.4115	3.0619	3.4710		1.4918	1.0396	1.0396	1.9612	1.9612
C6	2.6467	1.4115	3.4710	3.0619	1.4918		1.9612	1.9612	1.0396	1.0396
H7	3.2641	2.1042	3.6291	4.0609	1.0396	1.9612		1.8364	2.6094	1.8538
H8	3.2641	2.1042	3.6291	4.0609	1.0396	1.9612	1.8364		1.8538	2.6094
H9	3.2641	2.1042	4.0609	3.6291	1.9612	1.0396	2.6094	1.8538		1.8364
H10	3.2641	2.1042	4.0609	3.6291	1.9612	1.0396	1.8538	2.6094	1.8364

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C5	148.100	C1	C2	C6	148.100
C2	C1	H3	120.083	C2	C1	H4	120.083
C2	C5	C6	58.100	C2	C5	H7	117.494
C2	C5	H8	117.494	C2	C6	C5	58.100
C2	C6	H9	117.494	C2	C6	H10	117.494
H3	C1	H4	119.834	C5	C2	C6	63.800
C5	C6	H9	100.028	C5	C6	H10	100.028
C6	C5	H7	100.028	C6	C5	H8	100.028
H7	C5	H8	124.072	H9	C6	H10	124.072

All results from a given calculation for C₄H₆ (Methylenecyclopropane)

using model chemistry: wB97X-D/TZVP

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	-0.233
2	C	-0.020
3	H	0.122
4	H	0.122
5	C	-0.289
6	C	-0.289
7	H	0.147
8	H	0.147
9	H	0.147
10	H	0.147

<r²>	76.535
(<r²>)^1/2	8.748

All results from a given calculation for C4H6 (Methylenecyclopropane)

using model chemistry: wB97X-D/TZVP

States and conformations

All results from a given calculation for C₄H₆ (Methylenecyclopropane)