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	hartrees
Energy at 0K	-154.415791
Energy at 298.15K	-154.421616
HF Energy	-154.015667
Nuclear repulsion energy	107.960123

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3137	3040	6.40
2	A₁	3112	3016	13.07
3	A₁	1807	1752	0.11
4	A₁	1542	1495	0.00
5	A₁	1514	1468	0.40
6	A₁	1108	1074	10.57
7	A₁	984	953	1.88
8	A₁	685	663	6.26
9	A₂	3210	3111	0.00
10	A₂	1190	1153	0.00
11	A₂	996	965	0.00
12	A₂	645	625	0.00
13	B₁	3224	3125	14.82
14	B₁	1152	1116	0.21
15	B₁	942	913	40.42
16	B₁	791	767	0.86
17	B₁	315	306	5.43
18	B₂	3185	3087	13.55
19	B₂	3131	3035	9.27
20	B₂	1517	1471	1.00
21	B₂	1179	1143	10.81
22	B₂	1133	1098	3.62
23	B₂	885	858	9.58
24	B₂	373	361	0.60

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	1.653
C2	0.000	0.000	0.326
H3	0.000	0.928	2.226
H4	0.000	-0.928	2.226
C5	0.000	0.790	-0.944
C6	0.000	-0.790	-0.944
H7	0.920	1.286	-1.249
H8	-0.920	1.286	-1.249
H9	-0.920	-1.286	-1.249
H10	0.920	-1.286	-1.249

	C1	C2	H3	H4	C5	C6	H7	H8	H9	H10
C1		1.3270	1.0907	1.0907	2.7146	2.7146	3.3041	3.3041	3.3041	3.3041
C2	1.3270		2.1147	2.1147	1.4957	1.4957	2.2311	2.2311	2.2311	2.2311
H3	1.0907	2.1147		1.8559	3.1736	3.6059	3.6122	3.6122	4.2213	4.2213
H4	1.0907	2.1147	1.8559		3.6059	3.1736	4.2213	4.2213	3.6122	3.6122
C5	2.7146	1.4957	3.1736	3.6059		1.5792	1.0884	1.0884	2.2902	2.2902
C6	2.7146	1.4957	3.6059	3.1736	1.5792		2.2902	2.2902	1.0884	1.0884
H7	3.3041	2.2311	3.6122	4.2213	1.0884	2.2902		1.8395	3.1615	2.5712
H8	3.3041	2.2311	3.6122	4.2213	1.0884	2.2902	1.8395		2.5712	3.1615
H9	3.3041	2.2311	4.2213	3.6122	2.2902	1.0884	3.1615	2.5712		1.8395
H10	3.3041	2.2311	4.2213	3.6122	2.2902	1.0884	2.5712	3.1615	1.8395

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C5	148.135	C1	C2	C6	148.135
C2	C1	H3	121.708	C2	C1	H4	121.708
C2	C5	C6	58.135	C2	C5	H7	118.554
C2	C5	H8	118.554	C2	C6	C5	58.135
C2	C6	H9	118.554	C2	C6	H10	118.554
H3	C1	H4	116.583	C5	C2	C6	63.730
C5	C6	H9	117.113	C5	C6	H10	117.113
C6	C5	H7	117.113	C6	C5	H8	117.113
H7	C5	H8	115.362	H9	C6	H10	115.362

All results from a given calculation for C₄H₆ (Methylenecyclopropane)

using model chemistry: QCISD/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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All results from a given calculation for C4H6 (Methylenecyclopropane)

using model chemistry: QCISD/3-21G

States and conformations

All results from a given calculation for C₄H₆ (Methylenecyclopropane)