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	hartrees
Energy at 0K	-155.935457
Energy at 298.15K	-155.941203
Nuclear repulsion energy	109.466790

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3130	3013	16.34
2	A₁	3111	2995	16.91
3	A₁	1853	1784	6.94
4	A₁	1490	1435	0.02
5	A₁	1448	1394	1.41
6	A₁	1083	1043	2.62
7	A₁	1033	994	5.91
8	A₁	758	730	6.11
9	A₂	3182	3063	0.00
10	A₂	1174	1130	0.00
11	A₂	963	927	0.00
12	A₂	617	594	0.00
13	B₁	3196	3076	22.44
14	B₁	1101	1060	1.17
15	B₁	907	873	46.66
16	B₁	761	732	2.03
17	B₁	289	278	5.44
18	B₂	3212	3093	15.56
19	B₂	3109	2993	21.36
20	B₂	1453	1399	2.59
21	B₂	1149	1106	8.52
22	B₂	1066	1026	3.24
23	B₂	910	876	14.03
24	B₂	354	341	0.47

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	1.635
C2	0.000	0.000	0.317
H3	0.000	0.927	2.201
H4	0.000	-0.927	2.201
C5	0.000	0.767	-0.931
C6	0.000	-0.767	-0.931
H7	0.912	1.274	-1.235
H8	-0.912	1.274	-1.235
H9	-0.912	-1.274	-1.235
H10	0.912	-1.274	-1.235

	C1	C2	H3	H4	C5	C6	H7	H8	H9	H10
C1		1.3179	1.0868	1.0868	2.6779	2.6779	3.2696	3.2696	3.2696	3.2696
C2	1.3179		2.1005	2.1005	1.4646	1.4646	2.2053	2.2053	2.2053	2.2053
H3	1.0868	2.1005		1.8547	3.1367	3.5613	3.5722	3.5722	4.1818	4.1818
H4	1.0868	2.1005	1.8547		3.5613	3.1367	4.1818	4.1818	3.5722	3.5722
C5	2.6779	1.4646	3.1367	3.5613		1.5332	1.0873	1.0873	2.2560	2.2560
C6	2.6779	1.4646	3.5613	3.1367	1.5332		2.2560	2.2560	1.0873	1.0873
H7	3.2696	2.2053	3.5722	4.1818	1.0873	2.2560		1.8246	3.1343	2.5484
H8	3.2696	2.2053	3.5722	4.1818	1.0873	2.2560	1.8246		2.5484	3.1343
H9	3.2696	2.2053	4.1818	3.5722	2.2560	1.0873	3.1343	2.5484		1.8246
H10	3.2696	2.2053	4.1818	3.5722	2.2560	1.0873	2.5484	3.1343	1.8246

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C5	148.437	C1	C2	C6	148.437
C2	C1	H3	121.430	C2	C1	H4	121.430
C2	C5	C6	58.437	C2	C5	H7	118.842
C2	C5	H8	118.842	C2	C6	C5	58.437
C2	C6	H9	118.842	C2	C6	H10	118.842
H3	C1	H4	117.139	C5	C2	C6	63.125
C5	C6	H9	117.831	C5	C6	H10	117.831
C6	C5	H7	117.831	C6	C5	H8	117.831
H7	C5	H8	114.080	H9	C6	H10	114.080

All results from a given calculation for C₄H₆ (Methylenecyclopropane)

using model chemistry: B3PW91/6-311G*

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
1	C	-0.533
2	C	0.106
3	H	0.216
4	H	0.216
5	C	-0.475
6	C	-0.475
7	H	0.236
8	H	0.236
9	H	0.236
10	H	0.236

<r²>	76.807
(<r²>)^1/2	8.764

All results from a given calculation for C4H6 (Methylenecyclopropane)

using model chemistry: B3PW91/6-311G*

States and conformations

All results from a given calculation for C₄H₆ (Methylenecyclopropane)