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	hartrees
Energy at 0K	-155.556178
Energy at 298.15K	-155.562470
HF Energy	-154.917936
Nuclear repulsion energy	116.213515

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3277	3154
2	A₁	3186	3066
3	A₁	3084	2968
4	A₁	1550	1492
5	A₁	1294	1245
6	A₁	1116	1075
7	A₁	854	822
8	A₁	657	632
9	A₁	411	396
10	A₂	1194	1149
11	A₂	1103	1062
12	A₂	927	892
13	A₂	861	828
14	B₁	3264	3142
15	B₁	1176	1132
16	B₁	1165	1122
17	B₁	1010	972
18	B₁	745	717
19	B₂	3187	3068
20	B₂	3089	2973
21	B₂	1517	1460
22	B₂	1324	1274
23	B₂	1116	1074
24	B₂	961	925

Atom	x (Å)	y (Å)	z (Å)
C1	0.752	0.000	-0.317
C2	-0.752	0.000	-0.317
C3	0.000	1.134	0.314
C4	0.000	-1.134	0.314
H5	1.417	0.000	-1.164
H6	-1.417	0.000	-1.164
H7	0.000	2.081	-0.220
H8	0.000	-2.081	-0.220
H9	0.000	1.227	1.401
H10	0.000	-1.227	1.401

	C1	C2	C3	C4	H5	H6	H7	H8	H9	H10
C1		1.5041	1.4999	1.4999	1.0777	2.3291	2.2149	2.2149	2.2406	2.2406
C2	1.5041		1.4999	1.4999	2.3291	1.0777	2.2149	2.2149	2.2406	2.2406
C3	1.4999	1.4999		2.2687	2.3411	2.3411	1.0870	3.2596	1.0906	2.5998
C4	1.4999	1.4999	2.2687		2.3411	2.3411	3.2596	1.0870	2.5998	1.0906
H5	1.0777	2.3291	2.3411	2.3411		2.8344	2.6890	2.6890	3.1771	3.1771
H6	2.3291	1.0777	2.3411	2.3411	2.8344		2.6890	2.6890	3.1771	3.1771
H7	2.2149	2.2149	1.0870	3.2596	2.6890	2.6890		4.1622	1.8319	3.6842
H8	2.2149	2.2149	3.2596	1.0870	2.6890	2.6890	4.1622		3.6842	1.8319
H9	2.2406	2.2406	1.0906	2.5998	3.1771	3.1771	1.8319	3.6842		2.4548
H10	2.2406	2.2406	2.5998	1.0906	3.1771	3.1771	3.6842	1.8319	2.4548

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	59.908	C1	C2	C4	59.908
C1	C2	H6	128.110	C1	C3	C2	60.183
C1	C3	H7	116.882	C1	C3	H9	118.898
C1	C4	C2	60.183	C1	C4	H8	116.882
C1	C4	H10	118.898	C2	C1	C3	59.908
C2	C1	C4	59.908	C2	C1	H5	128.110
C2	C3	H7	116.882	C2	C3	H9	118.898
C2	C4	H8	116.882	C2	C4	H10	118.898
C3	C1	C4	98.276	C3	C1	H5	129.802
C3	C2	C4	98.276	C3	C2	H6	129.802
C4	C1	H5	129.802	C4	C2	H6	129.802
H7	C3	H9	114.540	H8	C4	H10	114.540

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

using model chemistry: CCSD(T)/TZVP

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(T)/TZVP

States and conformations

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