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	hartrees
Energy at 0K	-155.863688
Energy at 298.15K	-155.869858
HF Energy	-155.863688
Nuclear repulsion energy	115.281442

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3172	3147	5.56
2	A₁	3086	3063	25.42
3	A₁	2981	2958	65.99
4	A₁	1504	1493	0.00
5	A₁	1260	1251	1.39
6	A₁	1081	1073	0.00
7	A₁	829	823	0.47
8	A₁	649	644	6.55
9	A₁	400	397	1.32
10	A₂	1153	1144	0.00
11	A₂	1055	1046	0.00
12	A₂	902	896	0.00
13	A₂	818	811	0.00
14	B₁	3160	3136	10.17
15	B₁	1139	1130	12.95
16	B₁	1112	1104	5.83
17	B₁	975	967	1.90
18	B₁	724	718	55.97
19	B₂	3088	3065	19.81
20	B₂	2981	2958	49.69
21	B₂	1468	1456	1.21
22	B₂	1281	1271	0.15
23	B₂	1084	1075	0.28
24	B₂	934	926	0.39

Atom	x (Å)	y (Å)	z (Å)
C1	0.756	0.000	-0.315
C2	-0.756	0.000	-0.315
C3	0.000	1.148	0.313
C4	0.000	-1.148	0.313
H5	1.438	0.000	-1.162
H6	-1.438	0.000	-1.162
H7	0.000	2.099	-0.232
H8	0.000	-2.099	-0.232
H9	0.000	1.263	1.408
H10	0.000	-1.263	1.408

	C1	C2	C3	C4	H5	H6	H7	H8	H9	H10
C1		1.5116	1.5105	1.5105	1.0874	2.3515	2.2321	2.2321	2.2656	2.2656
C2	1.5116		1.5105	1.5105	2.3515	1.0874	2.2321	2.2321	2.2656	2.2656
C3	1.5105	1.5105		2.2951	2.3576	2.3576	1.0960	3.2915	1.1011	2.6473
C4	1.5105	1.5105	2.2951		2.3576	2.3576	3.2915	1.0960	2.6473	1.1011
H5	1.0874	2.3515	2.3576	2.3576		2.8760	2.7086	2.7086	3.2037	3.2037
H6	2.3515	1.0874	2.3576	2.3576	2.8760		2.7086	2.7086	3.2037	3.2037
H7	2.2321	2.2321	1.0960	3.2915	2.7086	2.7086		4.1973	1.8405	3.7400
H8	2.2321	2.2321	3.2915	1.0960	2.7086	2.7086	4.1973		3.7400	1.8405
H9	2.2656	2.2656	1.1011	2.6473	3.2037	3.2037	1.8405	3.7400		2.5254
H10	2.2656	2.2656	2.6473	1.1011	3.2037	3.2037	3.7400	1.8405	2.5254

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	59.978	C1	C2	C4	59.978
C1	C2	H6	128.856	C1	C3	C2	60.045
C1	C3	H7	116.925	C1	C3	H9	119.510
C1	C4	C2	60.045	C1	C4	H8	116.925
C1	C4	H10	119.510	C2	C1	C3	59.978
C2	C1	C4	59.978	C2	C1	H5	128.856
C2	C3	H7	116.925	C2	C3	H9	119.510
C2	C4	H8	116.925	C2	C4	H10	119.510
C3	C1	C4	98.872	C3	C1	H5	129.596
C3	C2	C4	98.872	C3	C2	H6	129.596
C4	C1	H5	129.596	C4	C2	H6	129.596
H7	C3	H9	113.792	H8	C4	H10	113.792

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

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	-0.049
2	C	-0.049
3	C	-0.193
4	C	-0.193
5	H	0.078
6	H	0.078
7	H	0.085
8	H	0.085
9	H	0.078
10	H	0.078

<r²>	63.389
(<r²>)^1/2	7.962

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

using model chemistry: BLYP/6-31G**

States and conformations

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