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	hartrees
Energy at 0K	-155.843051
Energy at 298.15K	-155.837813
HF Energy	-155.976850
Nuclear repulsion energy	109.412555

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3134	3025	11.58
2	A₁	3110	3001	14.17
3	A₁	1851	1786	4.47
4	A₁	1489	1437	0.33
5	A₁	1448	1398	0.07
6	A₁	1072	1034	1.93
7	A₁	1043	1007	2.37
8	A₁	750	724	3.93
9	A₂	3180	3069	0.00
10	A₂	1169	1129	0.00
11	A₂	962	929	0.00
12	A₂	619	597	0.00
13	B₁	3193	3082	16.75
14	B₁	1100	1061	0.70
15	B₁	924	892	32.77
16	B₁	751	725	1.14
17	B₁	304	293	2.30
18	B₂	3213	3100	11.55
19	B₂	3109	3000	16.38
20	B₂	1452	1401	0.70
21	B₂	1146	1106	6.52
22	B₂	1076	1038	0.82
23	B₂	907	875	12.85
24	B₂	359	346	0.11

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	1.634
C2	0.000	0.000	0.317
H3	0.000	0.925	2.202
H4	0.000	-0.925	2.202
C5	0.000	0.769	-0.931
C6	0.000	-0.769	-0.931
H7	0.911	1.277	-1.236
H8	-0.911	1.277	-1.236
H9	-0.911	-1.277	-1.236
H10	0.911	-1.277	-1.236

	C1	C2	H3	H4	C5	C6	H7	H8	H9	H10
C1		1.3164	1.0859	1.0859	2.6773	2.6773	3.2703	3.2703	3.2703	3.2703
C2	1.3164		2.0998	2.0998	1.4659	1.4659	2.2075	2.2075	2.2075	2.2075
H3	1.0859	2.0998		1.8504	3.1368	3.5617	3.5740	3.5740	4.1833	4.1833
H4	1.0859	2.0998	1.8504		3.5617	3.1368	4.1833	4.1833	3.5740	3.5740
C5	2.6773	1.4659	3.1368	3.5617		1.5382	1.0870	1.0870	2.2606	2.2606
C6	2.6773	1.4659	3.5617	3.1368	1.5382		2.2606	2.2606	1.0870	1.0870
H7	3.2703	2.2075	3.5740	4.1833	1.0870	2.2606		1.8227	3.1378	2.5540
H8	3.2703	2.2075	3.5740	4.1833	1.0870	2.2606	1.8227		2.5540	3.1378
H9	3.2703	2.2075	4.1833	3.5740	2.2606	1.0870	3.1378	2.5540		1.8227
H10	3.2703	2.2075	4.1833	3.5740	2.2606	1.0870	2.5540	3.1378	1.8227

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C5	148.389	C1	C2	C6	148.389
C2	C1	H3	121.564	C2	C1	H4	121.564
C2	C5	C6	58.389	C2	C5	H7	118.863
C2	C5	H8	118.863	C2	C6	C5	58.389
C2	C6	H9	118.863	C2	C6	H10	118.863
H3	C1	H4	116.873	C5	C2	C6	63.222
C5	C6	H9	117.867	C5	C6	H10	117.867
C6	C5	H7	117.867	C6	C5	H8	117.867
H7	C5	H8	114.029	H9	C6	H10	114.029

All results from a given calculation for C₄H₆ (Methylenecyclopropane)

using model chemistry: G4

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	-0.450
2	C	0.391
3	H	0.109
4	H	0.109
5	C	-0.327
6	C	-0.327
7	H	0.124
8	H	0.124
9	H	0.124
10	H	0.124

<r²>	76.738
(<r²>)^1/2	8.760

All results from a given calculation for C4H6 (Methylenecyclopropane)

using model chemistry: G4

States and conformations

All results from a given calculation for C₄H₆ (Methylenecyclopropane)