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	hartrees
Energy at 0K	-155.397675
Energy at 298.15K	-155.404113
HF Energy	-154.897339
Nuclear repulsion energy	116.722109

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3347	3097	2.83
2	A₁	3262	3019	30.00
3	A₁	3162	2926	51.30
4	A₁	1605	1485	0.21
5	A₁	1359	1258	2.11
6	A₁	1158	1071	0.08
7	A₁	917	849	0.13
8	A₁	719	665	7.92
9	A₁	445	412	1.66
10	A₂	1240	1147	0.00
11	A₂	1136	1051	0.00
12	A₂	967	895	0.00
13	A₂	907	839	0.00
14	B₁	3332	3083	4.29
15	B₁	1233	1141	15.85
16	B₁	1185	1097	10.37
17	B₁	1057	978	4.78
18	B₁	791	732	83.33
19	B₂	3264	3020	14.09
20	B₂	3165	2929	44.08
21	B₂	1565	1448	0.00
22	B₂	1385	1282	0.05
23	B₂	1150	1064	0.66
24	B₂	988	914	0.13

Atom	x (Å)	y (Å)	z (Å)
C1	0.743	0.000	-0.319
C2	-0.743	0.000	-0.319
C3	0.000	1.131	0.314
C4	0.000	-1.131	0.314
H5	1.423	0.000	-1.151
H6	-1.423	0.000	-1.151
H7	0.000	2.075	-0.217
H8	0.000	-2.075	-0.217
H9	0.000	1.228	1.397
H10	0.000	-1.228	1.397

	C1	C2	C3	C4	H5	H6	H7	H8	H9	H10
C1		1.4860	1.4940	1.4940	1.0747	2.3207	2.2065	2.2065	2.2371	2.2371
C2	1.4860		1.4940	1.4940	2.3207	1.0747	2.2065	2.2065	2.2371	2.2371
C3	1.4940	1.4940		2.2620	2.3349	2.3349	1.0833	3.2499	1.0869	2.5959
C4	1.4940	1.4940	2.2620		2.3349	2.3349	3.2499	1.0833	2.5959	1.0869
H5	1.0747	2.3207	2.3349	2.3349		2.8469	2.6841	2.6841	3.1663	3.1663
H6	2.3207	1.0747	2.3349	2.3349	2.8469		2.6841	2.6841	3.1663	3.1663
H7	2.2065	2.2065	1.0833	3.2499	2.6841	2.6841		4.1503	1.8223	3.6766
H8	2.2065	2.2065	3.2499	1.0833	2.6841	2.6841	4.1503		3.6766	1.8223
H9	2.2371	2.2371	1.0869	2.5959	3.1663	3.1663	1.8223	3.6766		2.4568
H10	2.2371	2.2371	2.5959	1.0869	3.1663	3.1663	3.6766	1.8223	2.4568

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	60.178	C1	C2	C4	60.178
C1	C2	H6	129.286	C1	C3	C2	59.644
C1	C3	H7	116.872	C1	C3	H9	119.338
C1	C4	C2	59.644	C1	C4	H8	116.872
C1	C4	H10	119.338	C2	C1	C3	60.178
C2	C1	C4	60.178	C2	C1	H5	129.286
C2	C3	H7	116.872	C2	C3	H9	119.338
C2	C4	H8	116.872	C2	C4	H10	119.338
C3	C1	C4	98.403	C3	C1	H5	130.010
C3	C2	C4	98.403	C3	C2	H6	130.010
C4	C1	H5	130.010	C4	C2	H6	130.010
H7	C3	H9	114.217	H8	C4	H10	114.217

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

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

States and conformations

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