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	hartrees
Energy at 0K	-155.548700
Energy at 298.15K	-155.555057
HF Energy	-154.896695
Nuclear repulsion energy	116.218808

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3300	3300	2.08
2	A₁	3219	3219	25.86
3	A₁	3115	3115	46.39
4	A₁	1570	1570	0.40
5	A₁	1326	1326	2.12
6	A₁	1132	1132	0.10
7	A₁	893	893	0.08
8	A₁	685	685	7.10
9	A₁	430	430	1.79
10	A₂	1212	1212	0.00
11	A₂	1107	1107	0.00
12	A₂	948	948	0.00
13	A₂	890	890	0.00
14	B₁	3286	3286	3.36
15	B₁	1203	1203	17.06
16	B₁	1158	1158	13.25
17	B₁	1022	1022	4.13
18	B₁	771	771	82.33
19	B₂	3220	3220	11.18
20	B₂	3120	3120	38.17
21	B₂	1532	1532	0.08
22	B₂	1355	1355	0.00
23	B₂	1130	1130	0.63
24	B₂	968	968	0.04

Atom	x (Å)	y (Å)	z (Å)
C1	0.749	0.000	-0.317
C2	-0.749	0.000	-0.317
C3	0.000	1.137	0.314
C4	0.000	-1.137	0.314
H5	1.419	0.000	-1.162
H6	-1.419	0.000	-1.162
H7	0.000	2.082	-0.222
H8	0.000	-2.082	-0.222
H9	0.000	1.234	1.401
H10	0.000	-1.234	1.401

	C1	C2	C3	C4	H5	H6	H7	H8	H9	H10
C1		1.4978	1.5002	1.5002	1.0785	2.3266	2.2149	2.2149	2.2437	2.2437
C2	1.4978		1.5002	1.5002	2.3266	1.0785	2.2149	2.2149	2.2437	2.2437
C3	1.5002	1.5002		2.2730	2.3417	2.3417	1.0871	3.2631	1.0909	2.6080
C4	1.5002	1.5002	2.2730		2.3417	2.3417	3.2631	1.0871	2.6080	1.0909
H5	1.0785	2.3266	2.3417	2.3417		2.8375	2.6894	2.6894	3.1786	3.1786
H6	2.3266	1.0785	2.3417	2.3417	2.8375		2.6894	2.6894	3.1786	3.1786
H7	2.2149	2.2149	1.0871	3.2631	2.6894	2.6894		4.1646	1.8307	3.6923
H8	2.2149	2.2149	3.2631	1.0871	2.6894	2.6894	4.1646		3.6923	1.8307
H9	2.2437	2.2437	1.0909	2.6080	3.1786	3.1786	1.8307	3.6923		2.4688
H10	2.2437	2.2437	2.6080	1.0909	3.1786	3.1786	3.6923	1.8307	2.4688

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	60.052	C1	C2	C4	60.052
C1	C2	H6	128.395	C1	C3	C2	59.896
C1	C3	H7	116.856	C1	C3	H9	119.132
C1	C4	C2	59.896	C1	C4	H8	116.856
C1	C4	H10	119.132	C2	C1	C3	60.052
C2	C1	C4	60.052	C2	C1	H5	128.395
C2	C3	H7	116.856	C2	C3	H9	119.132
C2	C4	H8	116.856	C2	C4	H10	119.132
C3	C1	C4	98.502	C3	C1	H5	129.766
C3	C2	C4	98.502	C3	C2	H6	129.766
C4	C1	H5	129.766	C4	C2	H6	129.766
H7	C3	H9	114.392	H8	C4	H10	114.392

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

using model chemistry: MP3=FULL/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: MP3=FULL/6-311G*

States and conformations

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