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	hartrees
Energy at 0K	-155.524825
Energy at 298.15K	-155.531166
HF Energy	-154.906887
Nuclear repulsion energy	116.039324

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3283	3132	1.75
2	A₁	3194	3047	28.39
3	A₁	3093	2951	47.31
4	A₁	1558	1486	0.02
5	A₁	1313	1253	2.32
6	A₁	1125	1073	0.02
7	A₁	879	839	0.08
8	A₁	679	648	5.67
9	A₁	421	401	1.24
10	A₂	1205	1149	0.00
11	A₂	1110	1059	0.00
12	A₂	940	897	0.00
13	A₂	878	838	0.00
14	B₁	3269	3119	3.20
15	B₁	1191	1137	14.91
16	B₁	1161	1107	6.68
17	B₁	1017	970	4.09
18	B₁	767	732	72.67
19	B₂	3195	3048	11.87
20	B₂	3097	2955	40.37
21	B₂	1519	1450	0.17
22	B₂	1345	1283	0.18
23	B₂	1121	1069	0.42
24	B₂	961	917	0.38

Atom	x (Å)	y (Å)	z (Å)
C1	0.750	0.000	-0.319
C2	-0.750	0.000	-0.319
C3	0.000	1.137	0.315
C4	0.000	-1.137	0.315
H5	1.427	0.000	-1.160
H6	-1.427	0.000	-1.160
H7	0.000	2.085	-0.221
H8	0.000	-2.085	-0.221
H9	0.000	1.232	1.404
H10	0.000	-1.232	1.404

	C1	C2	C3	C4	H5	H6	H7	H8	H9	H10
C1		1.5005	1.5026	1.5026	1.0797	2.3344	2.2178	2.2178	2.2472	2.2472
C2	1.5005		1.5026	1.5026	2.3344	1.0797	2.2178	2.2178	2.2472	2.2472
C3	1.5026	1.5026		2.2737	2.3466	2.3466	1.0894	3.2661	1.0929	2.6072
C4	1.5026	1.5026	2.2737		2.3466	2.3466	3.2661	1.0894	2.6072	1.0929
H5	1.0797	2.3344	2.3466	2.3466		2.8548	2.6953	2.6953	3.1828	3.1828
H6	2.3344	1.0797	2.3466	2.3466	2.8548		2.6953	2.6953	3.1828	3.1828
H7	2.2178	2.2178	1.0894	3.2661	2.6953	2.6953		4.1696	1.8356	3.6938
H8	2.2178	2.2178	3.2661	1.0894	2.6953	2.6953	4.1696		3.6938	1.8356
H9	2.2472	2.2472	1.0929	2.6072	3.1828	3.1828	1.8356	3.6938		2.4642
H10	2.2472	2.2472	2.6072	1.0929	3.1828	3.1828	3.6938	1.8356	2.4642

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	60.046	C1	C2	C4	60.046
C1	C2	H6	128.838	C1	C3	C2	59.908
C1	C3	H7	116.765	C1	C3	H9	119.112
C1	C4	C2	59.908	C1	C4	H8	116.765
C1	C4	H10	119.112	C2	C1	C3	60.046
C2	C1	C4	60.046	C2	C1	H5	128.838
C2	C3	H7	116.765	C2	C3	H9	119.112
C2	C4	H8	116.765	C2	C4	H10	119.112
C3	C1	C4	98.331	C3	C1	H5	129.939
C3	C2	C4	98.331	C3	C2	H6	129.939
C4	C1	H5	129.939	C4	C2	H6	129.939
H7	C3	H9	114.522	H8	C4	H10	114.522

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

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

States and conformations

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