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	hartrees
Energy at 0K	-154.940121
Energy at 298.15K	-154.946157
Nuclear repulsion energy	110.280554

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3273	2974	12.79
2	A₁	3252	2955	15.48
3	A₁	1964	1785	11.05
4	A₁	1611	1464	1.52
5	A₁	1562	1419	0.46
6	A₁	1158	1053	0.00
7	A₁	1127	1024	4.57
8	A₁	793	721	10.35
9	A₂	3319	3016	0.00
10	A₂	1270	1154	0.00
11	A₂	1036	942	0.00
12	A₂	669	607	0.00
13	B₁	3334	3029	19.51
14	B₁	1197	1087	2.87
15	B₁	1046	950	54.56
16	B₁	808	734	2.21
17	B₁	337	306	5.79
18	B₂	3352	3045	12.47
19	B₂	3248	2951	19.80
20	B₂	1572	1428	2.20
21	B₂	1239	1126	6.96
22	B₂	1198	1088	0.38
23	B₂	970	882	17.88
24	B₂	385	349	0.20

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	1.622
C2	0.000	0.000	0.317
H3	0.000	0.918	2.180
H4	0.000	-0.918	2.180
C5	0.000	0.764	-0.925
C6	0.000	-0.764	-0.925
H7	0.904	1.263	-1.223
H8	-0.904	1.263	-1.223
H9	-0.904	-1.263	-1.223
H10	0.904	-1.263	-1.223

	C1	C2	H3	H4	C5	C6	H7	H8	H9	H10
C1		1.3048	1.0744	1.0744	2.6595	2.6595	3.2418	3.2418	3.2418	3.2418
C2	1.3048		2.0769	2.0769	1.4586	1.4586	2.1878	2.1878	2.1878	2.1878
H3	1.0744	2.0769		1.8361	3.1095	3.5318	3.5384	3.5384	4.1424	4.1424
H4	1.0744	2.0769	1.8361		3.5318	3.1095	4.1424	4.1424	3.5384	3.5384
C5	2.6595	1.4586	3.1095	3.5318		1.5272	1.0750	1.0750	2.2392	2.2392
C6	2.6595	1.4586	3.5318	3.1095	1.5272		2.2392	2.2392	1.0750	1.0750
H7	3.2418	2.1878	3.5384	4.1424	1.0750	2.2392		1.8081	3.1068	2.5264
H8	3.2418	2.1878	3.5384	4.1424	1.0750	2.2392	1.8081		2.5264	3.1068
H9	3.2418	2.1878	4.1424	3.5384	2.2392	1.0750	3.1068	2.5264		1.8081
H10	3.2418	2.1878	4.1424	3.5384	2.2392	1.0750	2.5264	3.1068	1.8081

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C5	148.431	C1	C2	C6	148.431
C2	C1	H3	121.298	C2	C1	H4	121.298
C2	C5	C6	58.431	C2	C5	H7	118.645
C2	C5	H8	118.645	C2	C6	C5	58.431
C2	C6	H9	118.645	C2	C6	H10	118.645
H3	C1	H4	117.404	C5	C2	C6	63.139
C5	C6	H9	117.693	C5	C6	H10	117.693
C6	C5	H7	117.693	C6	C5	H8	117.693
H7	C5	H8	114.488	H9	C6	H10	114.488

All results from a given calculation for C₄H₆ (Methylenecyclopropane)

using model chemistry: HF/6-311+G(3df,2p)

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	-0.472
2	C	0.291
3	H	0.135
4	H	0.135
5	C	-0.333
6	C	-0.333
7	H	0.145
8	H	0.145
9	H	0.145
10	H	0.145

<r²>	0.000
(<r²>)^1/2	0.000

All results from a given calculation for C4H6 (Methylenecyclopropane)

using model chemistry: HF/6-311+G(3df,2p)

States and conformations

All results from a given calculation for C₄H₆ (Methylenecyclopropane)