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	hartrees
Energy at 0K	-154.885628
Energy at 298.15K	-154.891348
Nuclear repulsion energy	108.235359

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3075	3047	0.00
2	A₁	3073	3045	19.03
3	A₁	1798	1781	3.52
4	A₁	1479	1465	0.05
5	A₁	1450	1437	1.34
6	A₁	1026	1016	17.74
7	A₁	1004	995	0.00
8	A₁	704	697	4.71
9	A₂	3149	3120	0.00
10	A₂	1142	1132	0.00
11	A₂	952	943	0.00
12	A₂	618	613	0.00
13	B₁	3164	3135	11.24
14	B₁	1092	1082	0.02
15	B₁	906	898	51.43
16	B₁	751	744	2.30
17	B₁	309	307	5.63
18	B₂	3152	3124	11.83
19	B₂	3071	3043	8.25
20	B₂	1445	1432	3.01
21	B₂	1139	1129	12.47
22	B₂	1058	1048	7.39
23	B₂	876	868	9.86
24	B₂	357	354	0.88

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	1.648
C2	0.000	0.000	0.323
H3	0.000	0.934	2.220
H4	0.000	-0.934	2.220
C5	0.000	0.784	-0.941
C6	0.000	-0.784	-0.941
H7	0.925	1.285	-1.244
H8	-0.925	1.285	-1.244
H9	-0.925	-1.285	-1.244
H10	0.925	-1.285	-1.244

	C1	C2	H3	H4	C5	C6	H7	H8	H9	H10
C1		1.3251	1.0952	1.0952	2.7042	2.7042	3.2963	3.2963	3.2963	3.2963
C2	1.3251		2.1146	2.1146	1.4864	1.4864	2.2268	2.2268	2.2268	2.2268
H3	1.0952	2.1146		1.8675	3.1639	3.5969	3.6020	3.6020	4.2158	4.2158
H4	1.0952	2.1146	1.8675		3.5969	3.1639	4.2158	4.2158	3.6020	3.6020
C5	2.7042	1.4864	3.1639	3.5969		1.5672	1.0946	1.0946	2.2858	2.2858
C6	2.7042	1.4864	3.5969	3.1639	1.5672		2.2858	2.2858	1.0946	1.0946
H7	3.2963	2.2268	3.6020	4.2158	1.0946	2.2858		1.8494	3.1658	2.5694
H8	3.2963	2.2268	3.6020	4.2158	1.0946	2.2858	1.8494		2.5694	3.1658
H9	3.2963	2.2268	4.2158	3.6020	2.2858	1.0946	3.1658	2.5694		1.8494
H10	3.2963	2.2268	4.2158	3.6020	2.2858	1.0946	2.5694	3.1658	1.8494

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C5	148.184	C1	C2	C6	148.184
C2	C1	H3	121.500	C2	C1	H4	121.500
C2	C5	C6	58.184	C2	C5	H7	118.473
C2	C5	H8	118.473	C2	C6	C5	58.184
C2	C6	H9	118.473	C2	C6	H10	118.473
H3	C1	H4	116.999	C5	C2	C6	63.632
C5	C6	H9	117.245	C5	C6	H10	117.245
C6	C5	H7	117.245	C6	C5	H8	117.245
H7	C5	H8	115.300	H9	C6	H10	115.300

All results from a given calculation for C₄H₆ (Methylenecyclopropane)

using model chemistry: PBEPBE/3-21G

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	-0.543
2	C	-0.009
3	H	0.198
4	H	0.198
5	C	-0.379
6	C	-0.379
7	H	0.229
8	H	0.229
9	H	0.229
10	H	0.229

<r²>	77.997
(<r²>)^1/2	8.832

All results from a given calculation for C4H6 (Methylenecyclopropane)

using model chemistry: PBEPBE/3-21G

States and conformations

All results from a given calculation for C₄H₆ (Methylenecyclopropane)