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	hartrees
Energy at 0K	-155.013076
Energy at 298.15K	-155.018773
Nuclear repulsion energy	107.981073

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3062	3045	1.48
2	A₁	3059	3042	24.36
3	A₁	1773	1763	2.50
4	A₁	1493	1485	0.06
5	A₁	1464	1456	0.34
6	A₁	1025	1019	12.23
7	A₁	979	973	0.41
8	A₁	675	672	4.63
9	A₂	3130	3112	0.00
10	A₂	1143	1137	0.00
11	A₂	958	952	0.00
12	A₂	623	620	0.00
13	B₁	3145	3127	18.16
14	B₁	1094	1088	0.00
15	B₁	907	902	44.30
16	B₁	751	747	1.53
17	B₁	303	301	4.46
18	B₂	3133	3116	16.02
19	B₂	3057	3040	11.83
20	B₂	1462	1454	1.41
21	B₂	1141	1134	9.89
22	B₂	1058	1052	5.36
23	B₂	857	853	10.87
24	B₂	358	356	0.57

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	1.650
C2	0.000	0.000	0.324
H3	0.000	0.931	2.224
H4	0.000	-0.931	2.224
C5	0.000	0.789	-0.942
C6	0.000	-0.789	-0.942
H7	0.923	1.289	-1.247
H8	-0.923	1.289	-1.247
H9	-0.923	-1.289	-1.247
H10	0.923	-1.289	-1.247

	C1	C2	H3	H4	C5	C6	H7	H8	H9	H10
C1		1.3259	1.0937	1.0937	2.7098	2.7098	3.3028	3.3028	3.3028	3.3028
C2	1.3259		2.1154	2.1154	1.4922	1.4922	2.2323	2.2323	2.2323	2.2323
H3	1.0937	2.1154		1.8628	3.1688	3.6031	3.6091	3.6091	4.2225	4.2225
H4	1.0937	2.1154	1.8628		3.6031	3.1688	4.2225	4.2225	3.6091	3.6091
C5	2.7098	1.4922	3.1688	3.6031		1.5787	1.0930	1.0930	2.2947	2.2947
C6	2.7098	1.4922	3.6031	3.1688	1.5787		2.2947	2.2947	1.0930	1.0930
H7	3.3028	2.2323	3.6091	4.2225	1.0930	2.2947		1.8455	3.1711	2.5788
H8	3.3028	2.2323	3.6091	4.2225	1.0930	2.2947	1.8455		2.5788	3.1711
H9	3.3028	2.2323	4.2225	3.6091	2.2947	1.0930	3.1711	2.5788		1.8455
H10	3.3028	2.2323	4.2225	3.6091	2.2947	1.0930	2.5788	3.1711	1.8455

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C5	148.063	C1	C2	C6	148.063
C2	C1	H3	121.618	C2	C1	H4	121.618
C2	C5	C6	58.063	C2	C5	H7	118.613
C2	C5	H8	118.613	C2	C6	C5	58.063
C2	C6	H9	118.613	C2	C6	H10	118.613
H3	C1	H4	116.765	C5	C2	C6	63.873
C5	C6	H9	117.228	C5	C6	H10	117.228
C6	C5	H7	117.228	C6	C5	H8	117.228
H7	C5	H8	115.184	H9	C6	H10	115.184

All results from a given calculation for C₄H₆ (Methylenecyclopropane)

using model chemistry: BLYP/3-21G

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	-0.491
2	C	0.014
3	H	0.170
4	H	0.170
5	C	-0.329
6	C	-0.329
7	H	0.199
8	H	0.199
9	H	0.199
10	H	0.199

<r²>	78.384
(<r²>)^1/2	8.853

All results from a given calculation for C4H6 (Methylenecyclopropane)

using model chemistry: BLYP/3-21G

States and conformations

All results from a given calculation for C₄H₆ (Methylenecyclopropane)