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	hartrees
Energy at 0K	-155.001450
Energy at 298.15K	-155.007850
HF Energy	-155.001450
Nuclear repulsion energy	115.480884

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3324	3148	0.01
2	A₁	3211	3042	13.91
3	A₁	3113	2949	21.92
4	A₁	1560	1478	1.57
5	A₁	1281	1214	0.96
6	A₁	1122	1063	0.03
7	A₁	895	848	2.93
8	A₁	813	770	16.27
9	A₁	462	438	2.57
10	A₂	1200	1136	0.00
11	A₂	1120	1061	0.00
12	A₂	956	905	0.00
13	A₂	835	791	0.00
14	B₁	3307	3132	0.01
15	B₁	1183	1121	34.65
16	B₁	1173	1111	11.42
17	B₁	1034	980	1.80
18	B₁	761	721	59.08
19	B₂	3213	3044	2.79
20	B₂	3118	2954	19.10
21	B₂	1526	1446	0.27
22	B₂	1301	1233	0.01
23	B₂	1087	1029	0.95
24	B₂	957	906	0.37

Atom	x (Å)	y (Å)	z (Å)
C1	0.749	0.000	-0.344
C2	-0.749	0.000	-0.344
C3	0.000	1.139	0.327
C4	0.000	-1.139	0.327
H5	1.490	0.000	-1.118
H6	-1.490	0.000	-1.118
H7	0.000	2.090	-0.195
H8	0.000	-2.090	-0.195
H9	0.000	1.197	1.413
H10	0.000	-1.197	1.413

	C1	C2	C3	C4	H5	H6	H7	H8	H9	H10
C1		1.4986	1.5192	1.5192	1.0718	2.3694	2.2248	2.2248	2.2538	2.2538
C2	1.4986		1.5192	1.5192	2.3694	1.0718	2.2248	2.2248	2.2538	2.2538
C3	1.5192	1.5192		2.2776	2.3677	2.3677	1.0846	3.2703	1.0873	2.5762
C4	1.5192	1.5192	2.2776		2.3677	2.3677	3.2703	1.0846	2.5762	1.0873
H5	1.0718	2.3694	2.3677	2.3677		2.9797	2.7274	2.7274	3.1718	3.1718
H6	2.3694	1.0718	2.3677	2.3677	2.9797		2.7274	2.7274	3.1718	3.1718
H7	2.2248	2.2248	1.0846	3.2703	2.7274	2.7274		4.1792	1.8387	3.6591
H8	2.2248	2.2248	3.2703	1.0846	2.7274	2.7274	4.1792		3.6591	1.8387
H9	2.2538	2.2538	1.0873	2.5762	3.1718	3.1718	1.8387	3.6591		2.3948
H10	2.2538	2.2538	2.5762	1.0873	3.1718	3.1718	3.6591	1.8387	2.3948

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	60.448	C1	C2	C4	60.448
C1	C2	H6	133.701	C1	C3	C2	59.104
C1	C3	H7	116.400	C1	C3	H9	118.760
C1	C4	C2	59.104	C1	C4	H8	116.400
C1	C4	H10	118.760	C2	C1	C3	60.448
C2	C1	C4	60.448	C2	C1	H5	133.701
C2	C3	H7	116.400	C2	C3	H9	118.760
C2	C4	H8	116.400	C2	C4	H10	118.760
C3	C1	C4	97.112	C3	C1	H5	131.290
C3	C2	C4	97.112	C3	C2	H6	131.290
C4	C1	H5	131.290	C4	C2	H6	131.290
H7	C3	H9	115.682	H8	C4	H10	115.682

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

using model chemistry: M06-2X/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	-0.297
2	C	-0.297
3	C	-0.325
4	C	-0.325
5	H	0.204
6	H	0.204
7	H	0.214
8	H	0.214
9	H	0.204
10	H	0.204

<r²>	63.196
(<r²>)^1/2	7.950

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

using model chemistry: M06-2X/3-21G*

States and conformations

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