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	hartrees
Energy at 0K	-155.858922
Energy at 298.15K	-155.865155
HF Energy	-155.858922
Nuclear repulsion energy	115.963675

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3202	3147	5.85
2	A₁	3116	3062	28.25
3	A₁	3006	2954	70.77
4	A₁	1507	1481	0.03
5	A₁	1280	1258	2.10
6	A₁	1091	1072	0.12
7	A₁	871	856	0.04
8	A₁	661	650	6.80
9	A₁	410	403	1.33
10	A₂	1159	1139	0.00
11	A₂	1053	1035	0.00
12	A₂	918	902	0.00
13	A₂	842	828	0.00
14	B₁	3188	3133	10.95
15	B₁	1149	1129	12.39
16	B₁	1109	1090	16.68
17	B₁	980	963	2.85
18	B₁	745	732	75.48
19	B₂	3118	3065	21.86
20	B₂	3008	2957	58.12
21	B₂	1469	1443	0.40
22	B₂	1298	1276	0.15
23	B₂	1097	1078	0.75
24	B₂	941	925	0.17

Atom	x (Å)	y (Å)	z (Å)
C1	0.749	0.000	-0.314
C2	-0.749	0.000	-0.314
C3	0.000	1.141	0.312
C4	0.000	-1.141	0.312
H5	1.425	0.000	-1.162
H6	-1.425	0.000	-1.162
H7	0.000	2.089	-0.232
H8	0.000	-2.089	-0.232
H9	0.000	1.248	1.405
H10	0.000	-1.248	1.405

	C1	C2	C3	C4	H5	H6	H7	H8	H9	H10
C1		1.4975	1.5012	1.5012	1.0844	2.3329	2.2205	2.2205	2.2521	2.2521
C2	1.4975		1.5012	1.5012	2.3329	1.0844	2.2205	2.2205	2.2521	2.2521
C3	1.5012	1.5012		2.2817	2.3459	2.3459	1.0929	3.2752	1.0979	2.6271
C4	1.5012	1.5012	2.2817		2.3459	2.3459	3.2752	1.0929	2.6271	1.0979
H5	1.0844	2.3329	2.3459	2.3459		2.8491	2.6941	2.6941	3.1897	3.1897
H6	2.3329	1.0844	2.3459	2.3459	2.8491		2.6941	2.6941	3.1897	3.1897
H7	2.2205	2.2205	1.0929	3.2752	2.6941	2.6941		4.1778	1.8396	3.7168
H8	2.2205	2.2205	3.2752	1.0929	2.6941	2.6941	4.1778		3.7168	1.8396
H9	2.2521	2.2521	1.0979	2.6271	3.1897	3.1897	1.8396	3.7168		2.4966
H10	2.2521	2.2521	2.6271	1.0979	3.1897	3.1897	3.7168	1.8396	2.4966

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	60.085	C1	C2	C4	60.085
C1	C2	H6	128.580	C1	C3	C2	59.831
C1	C3	H7	116.858	C1	C3	H9	119.273
C1	C4	C2	59.831	C1	C4	H8	116.858
C1	C4	H10	119.273	C2	C1	C3	60.085
C2	C1	C4	60.085	C2	C1	H5	128.580
C2	C3	H7	116.858	C2	C3	H9	119.273
C2	C4	H8	116.858	C2	C4	H10	119.273
C3	C1	C4	98.901	C3	C1	H5	129.569
C3	C2	C4	98.901	C3	C2	H6	129.569
C4	C1	H5	129.569	C4	C2	H6	129.569
H7	C3	H9	114.242	H8	C4	H10	114.242

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

using model chemistry: B97D3/6-31+G**

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	-0.008
2	C	-0.008
3	C	-0.426
4	C	-0.426
5	H	0.146
6	H	0.146
7	H	0.145
8	H	0.145
9	H	0.142
10	H	0.142

<r²>	63.118
(<r²>)^1/2	7.945

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

using model chemistry: B97D3/6-31+G**

States and conformations

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