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	hartrees
Energy at 0K	-155.914718
Energy at 298.15K	-155.920450
Nuclear repulsion energy	109.057799

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3141	3031	11.07
2	A₁	3115	3006	10.36
3	A₁	1864	1799	7.41
4	A₁	1459	1408	0.07
5	A₁	1415	1365	0.87
6	A₁	1086	1048	2.58
7	A₁	1025	989	3.72
8	A₁	760	734	4.88
9	A₂	3197	3085	0.00
10	A₂	1153	1112	0.00
11	A₂	942	909	0.00
12	A₂	604	583	0.00
13	B₁	3209	3097	11.17
14	B₁	1077	1040	0.75
15	B₁	907	875	35.67
16	B₁	747	721	2.33
17	B₁	293	283	3.51
18	B₂	3237	3123	9.57
19	B₂	3114	3005	12.52
20	B₂	1412	1363	2.33
21	B₂	1139	1099	8.58
22	B₂	1054	1018	1.18
23	B₂	909	877	11.72
24	B₂	352	339	0.34

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	1.641
C2	0.000	0.000	0.316
H3	0.000	0.935	2.208
H4	0.000	-0.935	2.208
C5	0.000	0.768	-0.934
C6	0.000	-0.768	-0.934
H7	0.920	1.279	-1.237
H8	-0.920	1.279	-1.237
H9	-0.920	-1.279	-1.237
H10	0.920	-1.279	-1.237

	C1	C2	H3	H4	C5	C6	H7	H8	H9	H10
C1		1.3244	1.0936	1.0936	2.6871	2.6871	3.2812	3.2812	3.2812	3.2812
C2	1.3244		2.1098	2.1098	1.4676	1.4676	2.2127	2.2127	2.2127	2.2127
H3	1.0936	2.1098		1.8707	3.1461	3.5738	3.5821	3.5821	4.1973	4.1973
H4	1.0936	2.1098	1.8707		3.5738	3.1461	4.1973	4.1973	3.5821	3.5821
C5	2.6871	1.4676	3.1461	3.5738		1.5361	1.0949	1.0949	2.2647	2.2647
C6	2.6871	1.4676	3.5738	3.1461	1.5361		2.2647	2.2647	1.0949	1.0949
H7	3.2812	2.2127	3.5821	4.1973	1.0949	2.2647		1.8392	3.1509	2.5584
H8	3.2812	2.2127	3.5821	4.1973	1.0949	2.2647	1.8392		2.5584	3.1509
H9	3.2812	2.2127	4.1973	3.5821	2.2647	1.0949	3.1509	2.5584		1.8392
H10	3.2812	2.2127	4.1973	3.5821	2.2647	1.0949	2.5584	3.1509	1.8392

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C5	148.443	C1	C2	C6	148.443
C2	C1	H3	121.209	C2	C1	H4	121.209
C2	C5	C6	58.443	C2	C5	H7	118.703
C2	C5	H8	118.703	C2	C6	C5	58.443
C2	C6	H9	118.703	C2	C6	H10	118.703
H3	C1	H4	117.582	C5	C2	C6	63.113
C5	C6	H9	117.828	C5	C6	H10	117.828
C6	C5	H7	117.828	C6	C5	H8	117.828
H7	C5	H8	114.254	H9	C6	H10	114.254

All results from a given calculation for C₄H₆ (Methylenecyclopropane)

using model chemistry: B3PW91/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	-0.076
2	C	-0.129
3	H	0.041
4	H	0.041
5	C	-0.065
6	C	-0.065
7	H	0.063
8	H	0.063
9	H	0.063
10	H	0.063

<r²>	77.169
(<r²>)^1/2	8.785

All results from a given calculation for C4H6 (Methylenecyclopropane)

using model chemistry: B3PW91/cc-pVDZ

States and conformations

All results from a given calculation for C₄H₆ (Methylenecyclopropane)