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	hartrees
Energy at 0K	-155.520579
Energy at 298.15K	-155.526944
HF Energy	-154.907084
Nuclear repulsion energy	116.141880

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3292	3144	1.51
2	A₁	3205	3061	27.66
3	A₁	3103	2963	45.55
4	A₁	1563	1493	0.04
5	A₁	1321	1262	2.18
6	A₁	1130	1079	0.00
7	A₁	889	849	0.13
8	A₁	690	659	6.10
9	A₁	426	407	1.22
10	A₂	1208	1154	0.00
11	A₂	1114	1064	0.00
12	A₂	945	903	0.00
13	A₂	883	843	0.00
14	B₁	3278	3131	2.82
15	B₁	1199	1145	16.06
16	B₁	1164	1111	6.36
17	B₁	1022	976	4.39
18	B₁	773	739	72.21
19	B₂	3206	3062	10.91
20	B₂	3107	2967	38.33
21	B₂	1523	1455	0.10
22	B₂	1351	1291	0.15
23	B₂	1124	1074	0.49
24	B₂	964	921	0.33

Atom	x (Å)	y (Å)	z (Å)
C1	0.748	0.000	-0.320
C2	-0.748	0.000	-0.320
C3	0.000	1.136	0.316
C4	0.000	-1.136	0.316
H5	1.428	0.000	-1.158
H6	-1.428	0.000	-1.158
H7	0.000	2.084	-0.220
H8	0.000	-2.084	-0.220
H9	0.000	1.230	1.404
H10	0.000	-1.230	1.404

	C1	C2	C3	C4	H5	H6	H7	H8	H9	H10
C1		1.4968	1.5014	1.5014	1.0793	2.3325	2.2162	2.2162	2.2461	2.2461
C2	1.4968		1.5014	1.5014	2.3325	1.0793	2.2162	2.2162	2.2461	2.2461
C3	1.5014	1.5014		2.2719	2.3457	2.3457	1.0889	3.2639	1.0924	2.6045
C4	1.5014	1.5014	2.2719		2.3457	2.3457	3.2639	1.0889	2.6045	1.0924
H5	1.0793	2.3325	2.3457	2.3457		2.8566	2.6946	2.6946	3.1808	3.1808
H6	2.3325	1.0793	2.3457	2.3457	2.8566		2.6946	2.6946	3.1808	3.1808
H7	2.2162	2.2162	1.0889	3.2639	2.6946	2.6946		4.1674	1.8349	3.6907
H8	2.2162	2.2162	3.2639	1.0889	2.6946	2.6946	4.1674		3.6907	1.8349
H9	2.2461	2.2461	1.0924	2.6045	3.1808	3.1808	1.8349	3.6907		2.4605
H10	2.2461	2.2461	2.6045	1.0924	3.1808	3.1808	3.6907	1.8349	2.4605

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	60.102	C1	C2	C4	60.102
C1	C2	H6	129.046	C1	C3	C2	59.795
C1	C3	H7	116.753	C1	C3	H9	119.144
C1	C4	C2	59.795	C1	C4	H8	116.753
C1	C4	H10	119.144	C2	C1	C3	60.102
C2	C1	C4	60.102	C2	C1	H5	129.046
C2	C3	H7	116.753	C2	C3	H9	119.144
C2	C4	H8	116.753	C2	C4	H10	119.144
C3	C1	C4	98.326	C3	C1	H5	129.994
C3	C2	C4	98.326	C3	C2	H6	129.994
C4	C1	H5	129.994	C4	C2	H6	129.994
H7	C3	H9	114.540	H8	C4	H10	114.540

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

using model chemistry: CCD/6-311G**

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: CCD/6-311G**

States and conformations

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