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	hartrees
Energy at 0K	-155.472821
Energy at 298.15K	-155.479137
HF Energy	-154.881762
Nuclear repulsion energy	115.430845

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3287	3114	1.13
2	A₁	3206	3037	25.02
3	A₁	3100	2937	44.20
4	A₁	1538	1457	0.00
5	A₁	1307	1238	2.02
6	A₁	1114	1055	0.05
7	A₁	875	829	0.18
8	A₁	674	638	5.47
9	A₁	417	395	1.15
10	A₂	1194	1131	0.00
11	A₂	1095	1037	0.00
12	A₂	931	882	0.00
13	A₂	878	831	0.00
14	B₁	3274	3101	2.41
15	B₁	1186	1124	12.81
16	B₁	1145	1085	5.48
17	B₁	1005	952	4.16
18	B₁	765	725	69.21
19	B₂	3207	3038	10.45
20	B₂	3104	2940	38.45
21	B₂	1498	1419	0.25
22	B₂	1343	1273	0.11
23	B₂	1109	1051	0.44
24	B₂	946	897	0.39

Atom	x (Å)	y (Å)	z (Å)
C1	0.755	0.000	-0.319
C2	-0.755	0.000	-0.319
C3	0.000	1.141	0.316
C4	0.000	-1.141	0.316
H5	1.438	0.000	-1.169
H6	-1.438	0.000	-1.169
H7	0.000	2.096	-0.226
H8	0.000	-2.096	-0.226
H9	0.000	1.239	1.414
H10	0.000	-1.239	1.414

	C1	C2	C3	C4	H5	H6	H7	H8	H9	H10
C1		1.5100	1.5084	1.5084	1.0896	2.3513	2.2299	2.2299	2.2599	2.2599
C2	1.5100		1.5084	1.5084	2.3513	1.0896	2.2299	2.2299	2.2599	2.2599
C3	1.5084	1.5084		2.2820	2.3605	2.3605	1.0982	3.2822	1.1021	2.6205
C4	1.5084	1.5084	2.2820		2.3605	2.3605	3.2822	1.0982	2.6205	1.1021
H5	1.0896	2.3513	2.3605	2.3605		2.8750	2.7108	2.7108	3.2044	3.2044
H6	2.3513	1.0896	2.3605	2.3605	2.8750		2.7108	2.7108	3.2044	3.2044
H7	2.2299	2.2299	1.0982	3.2822	2.7108	2.7108		4.1923	1.8505	3.7160
H8	2.2299	2.2299	3.2822	1.0982	2.7108	2.7108	4.1923		3.7160	1.8505
H9	2.2599	2.2599	1.1021	2.6205	3.2044	3.2044	1.8505	3.7160		2.4771
H10	2.2599	2.2599	2.6205	1.1021	3.2044	3.2044	3.7160	1.8505	2.4771

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	59.965	C1	C2	C4	59.965
C1	C2	H6	128.784	C1	C3	C2	60.071
C1	C3	H7	116.749	C1	C3	H9	119.101
C1	C4	C2	60.071	C1	C4	H8	116.749
C1	C4	H10	119.101	C2	C1	C3	59.965
C2	C1	C4	59.965	C2	C1	H5	128.784
C2	C3	H7	116.749	C2	C3	H9	119.101
C2	C4	H8	116.749	C2	C4	H10	119.101
C3	C1	C4	98.300	C3	C1	H5	129.922
C3	C2	C4	98.300	C3	C2	H6	129.922
C4	C1	H5	129.922	C4	C2	H6	129.922
H7	C3	H9	114.495	H8	C4	H10	114.495

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

using model chemistry: CCSD/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: CCSD/cc-pVDZ

States and conformations

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