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	hartrees
Energy at 0K	-155.996318
Energy at 298.15K	-156.002058
Nuclear repulsion energy	109.311749

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3119	3014	17.36
2	A₁	3100	2995	19.23
3	A₁	1837	1775	6.03
4	A₁	1496	1446	0.09
5	A₁	1456	1406	0.86
6	A₁	1066	1030	2.62
7	A₁	1035	1000	4.86
8	A₁	742	717	5.81
9	A₂	3168	3061	0.00
10	A₂	1175	1135	0.00
11	A₂	967	934	0.00
12	A₂	621	600	0.00
13	B₁	3181	3074	27.57
14	B₁	1105	1067	1.26
15	B₁	910	879	44.02
16	B₁	763	737	1.67
17	B₁	287	277	4.98
18	B₂	3197	3090	18.63
19	B₂	3098	2994	24.05
20	B₂	1461	1412	1.85
21	B₂	1148	1109	7.35
22	B₂	1070	1034	2.72
23	B₂	901	871	14.63
24	B₂	355	343	0.33

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	1.636
C2	0.000	0.000	0.318
H3	0.000	0.926	2.204
H4	0.000	-0.926	2.204
C5	0.000	0.770	-0.932
C6	0.000	-0.770	-0.932
H7	0.911	1.277	-1.237
H8	-0.911	1.277	-1.237
H9	-0.911	-1.277	-1.237
H10	0.911	-1.277	-1.237

	C1	C2	H3	H4	C5	C6	H7	H8	H9	H10
C1		1.3183	1.0863	1.0863	2.6809	2.6809	3.2735	3.2735	3.2735	3.2735
C2	1.3183		2.1012	2.1012	1.4678	1.4678	2.2088	2.2088	2.2088	2.2088
H3	1.0863	2.1012		1.8522	3.1397	3.5650	3.5768	3.5768	4.1862	4.1862
H4	1.0863	2.1012	1.8522		3.5650	3.1397	4.1862	4.1862	3.5768	3.5768
C5	2.6809	1.4678	3.1397	3.5650		1.5398	1.0868	1.0868	2.2614	2.2614
C6	2.6809	1.4678	3.5650	3.1397	1.5398		2.2614	2.2614	1.0868	1.0868
H7	3.2735	2.2088	3.5768	4.1862	1.0868	2.2614		1.8230	3.1379	2.5540
H8	3.2735	2.2088	3.5768	4.1862	1.0868	2.2614	1.8230		2.5540	3.1379
H9	3.2735	2.2088	4.1862	3.5768	2.2614	1.0868	3.1379	2.5540		1.8230
H10	3.2735	2.2088	4.1862	3.5768	2.2614	1.0868	2.5540	3.1379	1.8230

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C5	148.363	C1	C2	C6	148.363
C2	C1	H3	121.515	C2	C1	H4	121.515
C2	C5	C6	58.363	C2	C5	H7	118.933
C2	C5	H8	118.933	C2	C6	C5	58.363
C2	C6	H9	118.933	C2	C6	H10	118.933
H3	C1	H4	116.970	C5	C2	C6	63.274
C5	C6	H9	117.814	C5	C6	H10	117.814
C6	C5	H7	117.814	C6	C5	H8	117.814
H7	C5	H8	114.011	H9	C6	H10	114.011

All results from a given calculation for C₄H₆ (Methylenecyclopropane)

using model chemistry: B3LYP/6-311G*

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	ESP
1	C	-0.507	-0.580
2	C	0.120	0.272
3	H	0.203	0.198
4	H	0.203	0.198
5	C	-0.452	-0.342
6	C	-0.452	-0.342
7	H	0.221	0.150
8	H	0.221	0.147
9	H	0.221	0.147
10	H	0.221	0.150

	x	y	z	Total
	0.000	0.000	-0.412	0.412
CHELPG
AIM
ESP	0.025	0.000	-0.429	0.430

<r²>	77.161
(<r²>)^1/2	8.784

All results from a given calculation for C4H6 (Methylenecyclopropane)

using model chemistry: B3LYP/6-311G*

States and conformations

All results from a given calculation for C₄H₆ (Methylenecyclopropane)