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	hartrees
Energy at 0K	-155.443705
Energy at 298.15K	-155.450086
HF Energy	-154.870758
Nuclear repulsion energy	116.383582

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3292	3126	2.00
2	A₁	3203	3043	24.79
3	A₁	3108	2952	45.69
4	A₁	1582	1503	0.06
5	A₁	1338	1271	1.44
6	A₁	1142	1085	0.00
7	A₁	900	855	0.34
8	A₁	713	677	8.52
9	A₁	438	416	1.42
10	A₂	1224	1163	0.00
11	A₂	1121	1065	0.00
12	A₂	958	910	0.00
13	A₂	891	846	0.00
14	B₁	3279	3115	4.51
15	B₁	1213	1152	17.54
16	B₁	1168	1110	5.54
17	B₁	1038	986	3.30
18	B₁	786	746	67.42
19	B₂	3205	3044	13.01
20	B₂	3111	2955	36.69
21	B₂	1543	1466	0.16
22	B₂	1370	1301	0.06
23	B₂	1137	1080	0.67
24	B₂	980	931	0.19

Atom	x (Å)	y (Å)	z (Å)
C1	0.740	0.000	-0.322
C2	-0.740	0.000	-0.322
C3	0.000	1.133	0.315
C4	0.000	-1.133	0.315
H5	1.448	0.000	-1.142
H6	-1.448	0.000	-1.142
H7	0.000	2.084	-0.219
H8	0.000	-2.084	-0.219
H9	0.000	1.235	1.405
H10	0.000	-1.235	1.405

	C1	C2	C3	C4	H5	H6	H7	H8	H9	H10
C1		1.4802	1.4958	1.4958	1.0825	2.3361	2.2140	2.2140	2.2485	2.2485
C2	1.4802		1.4958	1.4958	2.3361	1.0825	2.2140	2.2140	2.2485	2.2485
C3	1.4958	1.4958		2.2656	2.3454	2.3454	1.0910	3.2609	1.0945	2.6062
C4	1.4958	1.4958	2.2656		2.3454	2.3454	3.2609	1.0910	2.6062	1.0945
H5	1.0825	2.3361	2.3454	2.3454		2.8953	2.7000	2.7000	3.1788	3.1788
H6	2.3361	1.0825	2.3454	2.3454	2.8953		2.7000	2.7000	3.1788	3.1788
H7	2.2140	2.2140	1.0910	3.2609	2.7000	2.7000		4.1681	1.8327	3.6947
H8	2.2140	2.2140	3.2609	1.0910	2.7000	2.7000	4.1681		3.6947	1.8327
H9	2.2485	2.2485	1.0945	2.6062	3.1788	3.1788	1.8327	3.6947		2.4692
H10	2.2485	2.2485	2.6062	1.0945	3.1788	3.1788	3.6947	1.8327	2.4692

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	60.344	C1	C2	C4	60.344
C1	C2	H6	130.815	C1	C3	C2	59.311
C1	C3	H7	116.848	C1	C3	H9	119.658
C1	C4	C2	59.311	C1	C4	H8	116.848
C1	C4	H10	119.658	C2	C1	C3	60.344
C2	C1	C4	60.344	C2	C1	H5	130.815
C2	C3	H7	116.848	C2	C3	H9	119.658
C2	C4	H8	116.848	C2	C4	H10	119.658
C3	C1	C4	98.455	C3	C1	H5	130.239
C3	C2	C4	98.455	C3	C2	H6	130.239
C4	C1	H5	130.239	C4	C2	H6	130.239
H7	C3	H9	113.979	H8	C4	H10	113.979

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

using model chemistry: CCSD=FULL/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=FULL/6-31G*

States and conformations

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