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	hartrees
Energy at 0K	-155.519860
Energy at 298.15K	-155.526072
HF Energy	-154.885459
Nuclear repulsion energy	114.964342

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3257	3185
2	A₁	3171	3101
3	A₁	3059	2992
4	A₁	1512	1478
5	A₁	1271	1243
6	A₁	1090	1065
7	A₁	842	823
8	A₁	629	615
9	A₁	396	387
10	A₂	1168	1142
11	A₂	1067	1043
12	A₂	907	887
13	A₂	854	835
14	B₁	3244	3172
15	B₁	1152	1126
16	B₁	1120	1095
17	B₁	974	953
18	B₁	732	716
19	B₂	3173	3103
20	B₂	3065	2997
21	B₂	1475	1442
22	B₂	1306	1277
23	B₂	1090	1065
24	B₂	925	905

Atom	x (Å)	y (Å)	z (Å)
C1	0.762	0.000	-0.319
C2	-0.762	0.000	-0.319
C3	0.000	1.147	0.316
C4	0.000	-1.147	0.316
H5	1.433	0.000	-1.177
H6	-1.433	0.000	-1.177
H7	0.000	2.103	-0.224
H8	0.000	-2.103	-0.224
H9	0.000	1.238	1.415
H10	0.000	-1.238	1.415

	C1	C2	C3	C4	H5	H6	H7	H8	H9	H10
C1		1.5234	1.5160	1.5160	1.0897	2.3564	2.2382	2.2382	2.2623	2.2623
C2	1.5234		1.5160	1.5160	2.3564	1.0897	2.2382	2.2382	2.2623	2.2623
C3	1.5160	1.5160		2.2931	2.3661	2.3661	1.0983	3.2938	1.1023	2.6254
C4	1.5160	1.5160	2.2931		2.3661	2.3661	3.2938	1.0983	2.6254	1.1023
H5	1.0897	2.3564	2.3661	2.3661		2.8654	2.7169	2.7169	3.2102	3.2102
H6	2.3564	1.0897	2.3661	2.3661	2.8654		2.7169	2.7169	3.2102	3.2102
H7	2.2382	2.2382	1.0983	3.2938	2.7169	2.7169		4.2050	1.8534	3.7210
H8	2.2382	2.2382	3.2938	1.0983	2.7169	2.7169	4.2050		3.7210	1.8534
H9	2.2623	2.2623	1.1023	2.6254	3.2102	3.2102	1.8534	3.7210		2.4758
H10	2.2623	2.2623	2.6254	1.1023	3.2102	3.2102	3.7210	1.8534	2.4758

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	59.838	C1	C2	C4	59.838
C1	C2	H6	128.006	C1	C3	C2	60.323
C1	C3	H7	116.871	C1	C3	H9	118.696
C1	C4	C2	60.323	C1	C4	H8	116.871
C1	C4	H10	118.696	C2	C1	C3	59.838
C2	C1	C4	59.838	C2	C1	H5	128.006
C2	C3	H7	116.871	C2	C3	H9	118.696
C2	C4	H8	116.871	C2	C4	H10	118.696
C3	C1	C4	98.283	C3	C1	H5	129.754
C3	C2	C4	98.283	C3	C2	H6	129.754
C4	C1	H5	129.754	C4	C2	H6	129.754
H7	C3	H9	114.747	H8	C4	H10	114.747

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

using model chemistry: QCISD(T)/aug-cc-pVDZ

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(T)/aug-cc-pVDZ

States and conformations

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