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	hartrees
Energy at 0K	-155.138368
Energy at 298.15K	-155.144815
HF Energy	-154.788787
Nuclear repulsion energy	115.194473

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3352	3144	2.12
2	A₁	3248	3046	33.87
3	A₁	3157	2961	40.46
4	A₁	1607	1507	0.38
5	A₁	1318	1236	1.44
6	A₁	1154	1082	0.00
7	A₁	860	807	0.12
8	A₁	794	745	12.46
9	A₁	452	424	1.55
10	A₂	1255	1177	0.00
11	A₂	1178	1105	0.00
12	A₂	978	917	0.00
13	A₂	866	812	0.00
14	B₁	3335	3128	2.11
15	B₁	1241	1164	26.74
16	B₁	1198	1124	0.22
17	B₁	1080	1012	3.87
18	B₁	777	729	68.17
19	B₂	3249	3046	11.58
20	B₂	3158	2962	33.75
21	B₂	1578	1480	0.00
22	B₂	1363	1278	0.60
23	B₂	1120	1051	1.45
24	B₂	1003	940	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.756	0.000	-0.329
C2	-0.756	0.000	-0.329
C3	0.000	1.147	0.318
C4	0.000	-1.147	0.318
H5	1.474	0.000	-1.130
H6	-1.474	0.000	-1.130
H7	0.000	2.097	-0.211
H8	0.000	-2.097	-0.211
H9	0.000	1.247	1.403
H10	0.000	-1.247	1.403

	C1	C2	C3	C4	H5	H6	H7	H8	H9	H10
C1		1.5112	1.5183	1.5183	1.0766	2.3695	2.2318	2.2318	2.2641	2.2641
C2	1.5112		1.5183	1.5183	2.3695	1.0766	2.2318	2.2318	2.2641	2.2641
C3	1.5183	1.5183		2.2939	2.3638	2.3638	1.0872	3.2865	1.0895	2.6283
C4	1.5183	1.5183	2.2939		2.3638	2.3638	3.2865	1.0872	2.6283	1.0895
H5	1.0766	2.3695	2.3638	2.3638		2.9485	2.7232	2.7232	3.1855	3.1855
H6	2.3695	1.0766	2.3638	2.3638	2.9485		2.7232	2.7232	3.1855	3.1855
H7	2.2318	2.2318	1.0872	3.2865	2.7232	2.7232		4.1935	1.8239	3.7129
H8	2.2318	2.2318	3.2865	1.0872	2.7232	2.7232	4.1935		3.7129	1.8239
H9	2.2641	2.2641	1.0895	2.6283	3.1855	3.1855	1.8239	3.7129		2.4941
H10	2.2641	2.2641	2.6283	1.0895	3.1855	3.1855	3.7129	1.8239	2.4941

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	60.155	C1	C2	C4	60.155
C1	C2	H6	131.878	C1	C3	C2	59.690
C1	C3	H7	116.907	C1	C3	H9	119.595
C1	C4	C2	59.690	C1	C4	H8	116.907
C1	C4	H10	119.595	C2	C1	C3	60.155
C2	C1	C4	60.155	C2	C1	H5	131.878
C2	C3	H7	116.907	C2	C3	H9	119.595
C2	C4	H8	116.907	C2	C4	H10	119.595
C3	C1	C4	98.123	C3	C1	H5	130.510
C3	C2	C4	98.123	C3	C2	H6	130.510
C4	C1	H5	130.510	C4	C2	H6	130.510
H7	C3	H9	113.843	H8	C4	H10	113.843

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

using model chemistry: CISD/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: CISD/6-31G

States and conformations

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