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	hartrees
Energy at 0K	-155.780263
Energy at 298.15K	-155.786028
Nuclear repulsion energy	109.445279

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3176	3020	12.89
2	A₁	3149	2995	12.22
3	A₁	1883	1791	4.69
4	A₁	1511	1437	0.04
5	A₁	1467	1395	0.30
6	A₁	1105	1050	2.05
7	A₁	1054	1003	5.38
8	A₁	776	738	5.21
9	A₂	3221	3063	0.00
10	A₂	1185	1127	0.00
11	A₂	969	922	0.00
12	A₂	621	590	0.00
13	B₁	3234	3075	16.77
14	B₁	1110	1056	0.31
15	B₁	919	874	42.57
16	B₁	765	727	1.60
17	B₁	295	280	3.12
18	B₂	3258	3098	12.65
19	B₂	3148	2994	15.43
20	B₂	1473	1400	1.16
21	B₂	1163	1106	8.79
22	B₂	1085	1032	3.44
23	B₂	926	880	11.87
24	B₂	354	337	0.33

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	1.637
C2	0.000	0.000	0.316
H3	0.000	0.928	2.204
H4	0.000	-0.928	2.204
C5	0.000	0.765	-0.932
C6	0.000	-0.765	-0.932
H7	0.913	1.274	-1.236
H8	-0.913	1.274	-1.236
H9	-0.913	-1.274	-1.236
H10	0.913	-1.274	-1.236

	C1	C2	H3	H4	C5	C6	H7	H8	H9	H10
C1		1.3201	1.0873	1.0873	2.6798	2.6798	3.2726	3.2726	3.2726	3.2726
C2	1.3201		2.1029	2.1029	1.4639	1.4639	2.2063	2.2063	2.2063	2.2063
H3	1.0873	2.1029		1.8553	3.1397	3.5631	3.5759	3.5759	4.1851	4.1851
H4	1.0873	2.1029	1.8553		3.5631	3.1397	4.1851	4.1851	3.5759	3.5759
C5	2.6798	1.4639	3.1397	3.5631		1.5297	1.0888	1.0888	2.2547	2.2547
C6	2.6798	1.4639	3.5631	3.1397	1.5297		2.2547	2.2547	1.0888	1.0888
H7	3.2726	2.2063	3.5759	4.1851	1.0888	2.2547		1.8256	3.1348	2.5484
H8	3.2726	2.2063	3.5759	4.1851	1.0888	2.2547	1.8256		2.5484	3.1348
H9	3.2726	2.2063	4.1851	3.5759	2.2547	1.0888	3.1348	2.5484		1.8256
H10	3.2726	2.2063	4.1851	3.5759	2.2547	1.0888	2.5484	3.1348	1.8256

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C5	148.502	C1	C2	C6	148.502
C2	C1	H3	121.441	C2	C1	H4	121.441
C2	C5	C6	58.502	C2	C5	H7	118.878
C2	C5	H8	118.878	C2	C6	C5	58.502
C2	C6	H9	118.878	C2	C6	H10	118.878
H3	C1	H4	117.119	C5	C2	C6	62.996
C5	C6	H9	117.894	C5	C6	H10	117.894
C6	C5	H7	117.894	C6	C5	H8	117.894
H7	C5	H8	113.938	H9	C6	H10	113.938

All results from a given calculation for C₄H₆ (Methylenecyclopropane)

using model chemistry: HSEh1PBE/6-31G*

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	-0.484
2	C	0.198
3	H	0.168
4	H	0.168
5	C	-0.407
6	C	-0.407
7	H	0.191
8	H	0.191
9	H	0.191
10	H	0.191

<r²>	76.621
(<r²>)^1/2	8.753

All results from a given calculation for C4H6 (Methylenecyclopropane)

using model chemistry: HSEh1PBE/6-31G*

States and conformations

All results from a given calculation for C₄H₆ (Methylenecyclopropane)