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	hartrees
Energy at 0K	-155.424615
Energy at 298.15K	-155.430985
HF Energy	-154.870590
Nuclear repulsion energy	116.272766

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3290	3106	2.09
2	A₁	3202	3024	24.95
3	A₁	3107	2934	45.75
4	A₁	1581	1493	0.04
5	A₁	1336	1261	1.44
6	A₁	1140	1077	0.01
7	A₁	896	847	0.29
8	A₁	705	665	8.17
9	A₁	435	411	1.43
10	A₂	1223	1155	0.00
11	A₂	1120	1057	0.00
12	A₂	956	903	0.00
13	A₂	890	841	0.00
14	B₁	3277	3095	4.58
15	B₁	1211	1144	17.38
16	B₁	1167	1102	5.32
17	B₁	1036	978	3.35
18	B₁	784	740	68.30
19	B₂	3203	3025	12.91
20	B₂	3110	2937	37.08
21	B₂	1542	1456	0.19
22	B₂	1369	1292	0.07
23	B₂	1137	1073	0.60
24	B₂	979	924	0.22

Atom	x (Å)	y (Å)	z (Å)
C1	0.741	0.000	-0.322
C2	-0.741	0.000	-0.322
C3	0.000	1.134	0.315
C4	0.000	-1.134	0.315
H5	1.449	0.000	-1.142
H6	-1.449	0.000	-1.142
H7	0.000	2.085	-0.220
H8	0.000	-2.085	-0.220
H9	0.000	1.237	1.405
H10	0.000	-1.237	1.405

	C1	C2	C3	C4	H5	H6	H7	H8	H9	H10
C1		1.4821	1.4973	1.4973	1.0828	2.3380	2.2156	2.2156	2.2502	2.2502
C2	1.4821		1.4973	1.4973	2.3380	1.0828	2.2156	2.2156	2.2502	2.2502
C3	1.4973	1.4973		2.2687	2.3468	2.3468	1.0913	3.2640	1.0949	2.6102
C4	1.4973	1.4973	2.2687		2.3468	2.3468	3.2640	1.0913	2.6102	1.0949
H5	1.0828	2.3380	2.3468	2.3468		2.8971	2.7013	2.7013	3.1806	3.1806
H6	2.3380	1.0828	2.3468	2.3468	2.8971		2.7013	2.7013	3.1806	3.1806
H7	2.2156	2.2156	1.0913	3.2640	2.7013	2.7013		4.1709	1.8331	3.6989
H8	2.2156	2.2156	3.2640	1.0913	2.7013	2.7013	4.1709		3.6989	1.8331
H9	2.2502	2.2502	1.0949	2.6102	3.1806	3.1806	1.8331	3.6989		2.4747
H10	2.2502	2.2502	2.6102	1.0949	3.1806	3.1806	3.6989	1.8331	2.4747

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	60.336	C1	C2	C4	60.336
C1	C2	H6	130.799	C1	C3	C2	59.329
C1	C3	H7	116.847	C1	C3	H9	119.668
C1	C4	C2	59.329	C1	C4	H8	116.847
C1	C4	H10	119.668	C2	C1	C3	60.336
C2	C1	C4	60.336	C2	C1	H5	130.799
C2	C3	H7	116.847	C2	C3	H9	119.668
C2	C4	H8	116.847	C2	C4	H10	119.668
C3	C1	C4	98.504	C3	C1	H5	130.207
C3	C2	C4	98.504	C3	C2	H6	130.207
C4	C1	H5	130.207	C4	C2	H6	130.207
H7	C3	H9	113.962	H8	C4	H10	113.962

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

using model chemistry: CCSD/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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All results from a given calculation for C4H6 (Bicyclo[1.1.0]butane)

using model chemistry: CCSD/6-31G*

States and conformations

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