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	hartrees
Energy at 0K	-155.872011
Energy at 298.15K	-155.877622
HF Energy	-155.872011
Nuclear repulsion energy	108.287684

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3063	3039	17.82
2	A₁	3035	3011	19.41
3	A₁	1781	1767	2.91
4	A₁	1473	1461	0.07
5	A₁	1435	1423	0.03
6	A₁	1035	1027	2.22
7	A₁	1013	1004	2.81
8	A₁	717	711	3.71
9	A₂	3098	3073	0.00
10	A₂	1143	1134	0.00
11	A₂	943	935	0.00
12	A₂	602	597	0.00
13	B₁	3111	3086	28.54
14	B₁	1074	1066	0.34
15	B₁	872	865	33.21
16	B₁	738	732	1.00
17	B₁	277	275	1.98
18	B₂	3135	3110	19.84
19	B₂	3036	3011	22.43
20	B₂	1441	1430	0.18
21	B₂	1119	1110	6.13
22	B₂	1039	1031	1.92
23	B₂	875	868	12.09
24	B₂	341	339	0.17

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	1.658
C2	0.000	0.000	0.308
H3	0.000	0.897	2.180
H4	0.000	-0.897	2.180
C5	0.000	0.747	-0.896
C6	0.000	-0.747	-0.896
H7	0.920	0.924	-1.352
H8	-0.920	0.924	-1.352
H9	-0.920	-0.924	-1.352
H10	0.920	-0.924	-1.352

	C1	C2	H3	H4	C5	C6	H7	H8	H9	H10
C1		1.3507	1.0374	1.0374	2.6610	2.6610	3.2803	3.2803	3.2803	3.2803
C2	1.3507		2.0757	2.0757	1.4163	1.4163	2.1104	2.1104	2.1104	2.1104
H3	1.0374	2.0757		1.7938	3.0790	3.4871	3.6493	3.6493	4.0783	4.0783
H4	1.0374	2.0757	1.7938		3.4871	3.0790	4.0783	4.0783	3.6493	3.6493
C5	2.6610	1.4163	3.0790	3.4871		1.4937	1.0420	1.0420	1.9612	1.9612
C6	2.6610	1.4163	3.4871	3.0790	1.4937		1.9612	1.9612	1.0420	1.0420
H7	3.2803	2.1104	3.6493	4.0783	1.0420	1.9612		1.8401	2.6080	1.8482
H8	3.2803	2.1104	3.6493	4.0783	1.0420	1.9612	1.8401		1.8482	2.6080
H9	3.2803	2.1104	4.0783	3.6493	1.9612	1.0420	2.6080	1.8482		1.8401
H10	3.2803	2.1104	4.0783	3.6493	1.9612	1.0420	1.8482	2.6080	1.8401

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C5	148.175	C1	C2	C6	148.175
C2	C1	H3	120.166	C2	C1	H4	120.166
C2	C5	C6	58.175	C2	C5	H7	117.483
C2	C5	H8	117.483	C2	C6	C5	58.175
C2	C6	H9	117.483	C2	C6	H10	117.483
H3	C1	H4	119.668	C5	C2	C6	63.651
C5	C6	H9	99.794	C5	C6	H10	99.794
C6	C5	H7	99.794	C6	C5	H8	99.794
H7	C5	H8	124.000	H9	C6	H10	124.000

All results from a given calculation for C₄H₆ (Methylenecyclopropane)

using model chemistry: BLYP/6-31G*

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	-0.410
2	C	0.241
3	H	0.121
4	H	0.121
5	C	-0.327
6	C	-0.327
7	H	0.145
8	H	0.145
9	H	0.145
10	H	0.145

<r²>	78.118
(<r²>)^1/2	8.838

All results from a given calculation for C4H6 (Methylenecyclopropane)

using model chemistry: BLYP/6-31G*

States and conformations

All results from a given calculation for C₄H₆ (Methylenecyclopropane)