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	hartrees
Energy at 0K	-155.890807
Energy at 298.15K	-155.896387
Nuclear repulsion energy	108.092143

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3049	3043	15.42
2	A₁	3027	3022	17.64
3	A₁	1761	1758	9.20
4	A₁	1431	1428	0.22
5	A₁	1394	1391	0.33
6	A₁	1019	1017	3.24
7	A₁	977	975	2.65
8	A₁	701	699	4.25
9	A₂	3100	3094	0.00
10	A₂	1115	1113	0.00
11	A₂	918	916	0.00
12	A₂	590	589	0.00
13	B₁	3112	3106	18.64
14	B₁	1045	1043	2.33
15	B₁	887	885	41.69
16	B₁	724	722	2.07
17	B₁	257	256	4.34
18	B₂	3133	3127	14.24
19	B₂	3027	3022	19.20
20	B₂	1399	1396	2.06
21	B₂	1099	1097	4.77
22	B₂	1008	1007	0.71
23	B₂	865	864	14.89
24	B₂	344	343	0.23

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	1.654
C2	0.000	0.000	0.318
H3	0.000	0.938	2.227
H4	0.000	-0.938	2.227
C5	0.000	0.781	-0.940
C6	0.000	-0.781	-0.940
H7	0.923	1.291	-1.251
H8	-0.923	1.291	-1.251
H9	-0.923	-1.291	-1.251
H10	0.923	-1.291	-1.251

	C1	C2	H3	H4	C5	C6	H7	H8	H9	H10
C1		1.3364	1.0985	1.0985	2.7094	2.7094	3.3101	3.3101	3.3101	3.3101
C2	1.3364		2.1265	2.1265	1.4808	1.4808	2.2312	2.2312	2.2312	2.2312
H3	1.0985	2.1265		1.8753	3.1705	3.6031	3.6150	3.6150	4.2319	4.2319
H4	1.0985	2.1265	1.8753		3.6031	3.1705	4.2319	4.2319	3.6150	3.6150
C5	2.7094	1.4808	3.1705	3.6031		1.5624	1.0988	1.0988	2.2893	2.2893
C6	2.7094	1.4808	3.6031	3.1705	1.5624		2.2893	2.2893	1.0988	1.0988
H7	3.3101	2.2312	3.6150	4.2319	1.0988	2.2893		1.8452	3.1731	2.5815
H8	3.3101	2.2312	3.6150	4.2319	1.0988	2.2893	1.8452		2.5815	3.1731
H9	3.3101	2.2312	4.2319	3.6150	2.2893	1.0988	3.1731	2.5815		1.8452
H10	3.3101	2.2312	4.2319	3.6150	2.2893	1.0988	2.5815	3.1731	1.8452

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C5	148.160	C1	C2	C6	148.160
C2	C1	H3	121.398	C2	C1	H4	121.398
C2	C5	C6	58.160	C2	C5	H7	119.007
C2	C5	H8	119.007	C2	C6	C5	58.160
C2	C6	H9	119.007	C2	C6	H10	119.007
H3	C1	H4	117.204	C5	C2	C6	63.681
C5	C6	H9	117.627	C5	C6	H10	117.627
C6	C5	H7	117.627	C6	C5	H8	117.627
H7	C5	H8	114.202	H9	C6	H10	114.202

All results from a given calculation for C₄H₆ (Methylenecyclopropane)

using model chemistry: BLYP/aug-cc-pVDZ

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	0.807
2	C	0.439
3	H	-0.616
4	H	-0.616
5	C	1.274
6	C	1.274
7	H	-0.641
8	H	-0.641
9	H	-0.641
10	H	-0.641

<r²>	78.918
(<r²>)^1/2	8.884

All results from a given calculation for C4H6 (Methylenecyclopropane)

using model chemistry: BLYP/aug-cc-pVDZ

States and conformations

All results from a given calculation for C₄H₆ (Methylenecyclopropane)