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	hartrees
Energy at 0K	-155.801361
Energy at 298.15K	-155.807008
Nuclear repulsion energy	109.083870

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3057	3036	12.76
2	A₁	3039	3018	13.54
3	A₁	1789	1777	8.82
4	A₁	1431	1421	0.09
5	A₁	1392	1383	0.93
6	A₁	1049	1042	2.93
7	A₁	991	984	5.07
8	A₁	737	732	3.93
9	A₂	3108	3086	0.00
10	A₂	1128	1120	0.00
11	A₂	926	919	0.00
12	A₂	594	590	0.00
13	B₁	3120	3099	12.66
14	B₁	1056	1049	1.29
15	B₁	877	871	39.29
16	B₁	727	722	2.26
17	B₁	279	277	4.01
18	B₂	3136	3115	11.30
19	B₂	3039	3018	15.79
20	B₂	1396	1386	2.51
21	B₂	1107	1099	6.85
22	B₂	1027	1020	1.48
23	B₂	883	877	13.58
24	B₂	346	344	0.35

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	1.640
C2	0.000	0.000	0.316
H3	0.000	0.932	2.208
H4	0.000	-0.932	2.208
C5	0.000	0.770	-0.933
C6	0.000	-0.770	-0.933
H7	0.917	1.279	-1.238
H8	-0.917	1.279	-1.238
H9	-0.917	-1.279	-1.238
H10	0.917	-1.279	-1.238

	C1	C2	H3	H4	C5	C6	H7	H8	H9	H10
C1		1.3241	1.0918	1.0918	2.6861	2.6861	3.2805	3.2805	3.2805	3.2805
C2	1.3241		2.1095	2.1095	1.4675	1.4675	2.2118	2.2118	2.2118	2.2118
H3	1.0918	2.1095		1.8646	3.1458	3.5731	3.5834	3.5834	4.1964	4.1964
H4	1.0918	2.1095	1.8646		3.5731	3.1458	4.1964	4.1964	3.5834	3.5834
C5	2.6861	1.4675	3.1458	3.5731		1.5399	1.0922	1.0922	2.2652	2.2652
C6	2.6861	1.4675	3.5731	3.1458	1.5399		2.2652	2.2652	1.0922	1.0922
H7	3.2805	2.2118	3.5834	4.1964	1.0922	2.2652		1.8339	3.1470	2.5575
H8	3.2805	2.2118	3.5834	4.1964	1.0922	2.2652	1.8339		2.5575	3.1470
H9	3.2805	2.2118	4.1964	3.5834	2.2652	1.0922	3.1470	2.5575		1.8339
H10	3.2805	2.2118	4.1964	3.5834	2.2652	1.0922	2.5575	3.1470	1.8339

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C5	148.353	C1	C2	C6	148.353
C2	C1	H3	121.362	C2	C1	H4	121.362
C2	C5	C6	58.353	C2	C5	H7	118.834
C2	C5	H8	118.834	C2	C6	C5	58.353
C2	C6	H9	118.834	C2	C6	H10	118.834
H3	C1	H4	117.277	C5	C2	C6	63.294
C5	C6	H9	117.765	C5	C6	H10	117.765
C6	C5	H7	117.765	C6	C5	H8	117.765
H7	C5	H8	114.195	H9	C6	H10	114.195

All results from a given calculation for C₄H₆ (Methylenecyclopropane)

using model chemistry: PBEPBE/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	-0.237
2	C	0.052
3	H	0.104
4	H	0.104
5	C	-0.209
6	C	-0.209
7	H	0.099
8	H	0.099
9	H	0.099
10	H	0.099

<r²>	77.413
(<r²>)^1/2	8.798

All results from a given calculation for C4H6 (Methylenecyclopropane)

using model chemistry: PBEPBE/cc-pVTZ

States and conformations

All results from a given calculation for C₄H₆ (Methylenecyclopropane)