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	hartrees
Energy at 0K	-155.686709
Energy at 298.15K	-155.693130
HF Energy	-154.925567
Nuclear repulsion energy	117.114275

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3312	3140	0.54
2	A₁	3207	3041	19.48
3	A₁	3118	2956	45.90
4	A₁	1568	1486	0.11
5	A₁	1335	1265	2.18
6	A₁	1138	1079	0.11
7	A₁	908	861	0.06
8	A₁	732	694	7.56
9	A₁	445	422	1.02
10	A₂	1211	1148	0.00
11	A₂	1120	1061	0.00
12	A₂	948	899	0.00
13	A₂	883	838	0.00
14	B₁	3298	3127	2.02
15	B₁	1199	1137	12.99
16	B₁	1171	1110	12.29
17	B₁	1042	988	4.25
18	B₁	779	738	66.08
19	B₂	3208	3042	11.36
20	B₂	3122	2960	35.56
21	B₂	1529	1449	0.00
22	B₂	1352	1282	0.17
23	B₂	1126	1068	0.91
24	B₂	971	920	0.28

Atom	x (Å)	y (Å)	z (Å)
C1	0.737	0.000	-0.325
C2	-0.737	0.000	-0.325
C3	0.000	1.126	0.316
C4	0.000	-1.126	0.316
H5	1.438	0.000	-1.133
H6	-1.438	0.000	-1.133
H7	0.000	2.069	-0.209
H8	0.000	-2.069	-0.209
H9	0.000	1.214	1.395
H10	0.000	-1.214	1.395

	C1	C2	C3	C4	H5	H6	H7	H8	H9	H10
C1		1.4733	1.4901	1.4901	1.0696	2.3196	2.1992	2.1992	2.2306	2.2306
C2	1.4733		1.4901	1.4901	2.3196	1.0696	2.1992	2.1992	2.2306	2.2306
C3	1.4901	1.4901		2.2513	2.3308	2.3308	1.0794	3.2373	1.0830	2.5767
C4	1.4901	1.4901	2.2513		2.3308	2.3308	3.2373	1.0794	2.5767	1.0830
H5	1.0696	2.3196	2.3308	2.3308		2.8756	2.6834	2.6834	3.1514	3.1514
H6	2.3196	1.0696	2.3308	2.3308	2.8756		2.6834	2.6834	3.1514	3.1514
H7	2.1992	2.1992	1.0794	3.2373	2.6834	2.6834		4.1377	1.8177	3.6539
H8	2.1992	2.1992	3.2373	1.0794	2.6834	2.6834	4.1377		3.6539	1.8177
H9	2.2306	2.2306	1.0830	2.5767	3.1514	3.1514	1.8177	3.6539		2.4281
H10	2.2306	2.2306	2.5767	1.0830	3.1514	3.1514	3.6539	1.8177	2.4281

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	60.372	C1	C2	C4	60.372
C1	C2	H6	130.961	C1	C3	C2	59.256
C1	C3	H7	116.809	C1	C3	H9	119.359
C1	C4	C2	59.256	C1	C4	H8	116.809
C1	C4	H10	119.359	C2	C1	C3	60.372
C2	C1	C4	60.372	C2	C1	H5	130.961
C2	C3	H7	116.809	C2	C3	H9	119.359
C2	C4	H8	116.809	C2	C4	H10	119.359
C3	C1	C4	98.123	C3	C1	H5	130.455
C3	C2	C4	98.123	C3	C2	H6	130.455
C4	C1	H5	130.455	C4	C2	H6	130.455
H7	C3	H9	114.410	H8	C4	H10	114.410

All results from a given calculation for C₄H₆ (Bicyclo[1.1.0]butane)

using model chemistry: CCSD=FULL/cc-pVTZ

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 (Bicyclo[1.1.0]butane)

using model chemistry: CCSD=FULL/cc-pVTZ

States and conformations

All results from a given calculation for C₄H₆ (Bicyclo[1.1.0]butane)