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	hartrees
Energy at 0K	-155.144371
Energy at 298.15K	-155.150617
HF Energy	-154.795894
Nuclear repulsion energy	113.183053

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3299	3178	3.02
2	A₁	3206	3088	36.75
3	A₁	3095	2981	38.77
4	A₁	1551	1494	0.37
5	A₁	1256	1210	0.36
6	A₁	1106	1065	1.59
7	A₁	820	790	7.69
8	A₁	668	643	8.96
9	A₁	418	402	5.80
10	A₂	1200	1156	0.00
11	A₂	1151	1109	0.00
12	A₂	937	903	0.00
13	A₂	826	796	0.00
14	B₁	3283	3162	1.97
15	B₁	1206	1161	35.12
16	B₁	1146	1104	3.20
17	B₁	1026	988	2.03
18	B₁	716	690	84.42
19	B₂	3206	3088	12.13
20	B₂	3100	2986	53.13
21	B₂	1531	1475	0.30
22	B₂	1295	1247	0.68
23	B₂	1097	1057	2.20
24	B₂	971	935	0.17

Atom	x (Å)	y (Å)	z (Å)
C1	0.785	0.000	-0.324
C2	-0.785	0.000	-0.324
C3	0.000	1.166	0.320
C4	0.000	-1.166	0.320
H5	1.468	0.000	-1.168
H6	-1.468	0.000	-1.168
H7	0.000	2.121	-0.221
H8	0.000	-2.121	-0.221
H9	0.000	1.261	1.415
H10	0.000	-1.261	1.415

	C1	C2	C3	C4	H5	H6	H7	H8	H9	H10
C1		1.5702	1.5465	1.5465	1.0856	2.4059	2.2636	2.2636	2.2875	2.2875
C2	1.5702		1.5465	1.5465	2.4059	1.0856	2.2636	2.2636	2.2875	2.2875
C3	1.5465	1.5465		2.3329	2.3936	2.3936	1.0965	3.3312	1.0995	2.6635
C4	1.5465	1.5465	2.3329		2.3936	2.3936	3.3312	1.0965	2.6635	1.0995
H5	1.0856	2.4059	2.3936	2.3936		2.9359	2.7477	2.7477	3.2279	3.2279
H6	2.4059	1.0856	2.3936	2.3936	2.9359		2.7477	2.7477	3.2279	3.2279
H7	2.2636	2.2636	1.0965	3.3312	2.7477	2.7477		4.2412	1.8477	3.7568
H8	2.2636	2.2636	3.3312	1.0965	2.7477	2.7477	4.2412		3.7568	1.8477
H9	2.2875	2.2875	1.0995	2.6635	3.2279	3.2279	1.8477	3.7568		2.5228
H10	2.2875	2.2875	2.6635	1.0995	3.2279	3.2279	3.7568	1.8477	2.5228

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	59.492	C1	C2	C4	59.492
C1	C2	H6	128.977	C1	C3	C2	61.016
C1	C3	H7	116.818	C1	C3	H9	118.682
C1	C4	C2	61.016	C1	C4	H8	116.818
C1	C4	H10	118.682	C2	C1	C3	59.492
C2	C1	C4	59.492	C2	C1	H5	128.977
C2	C3	H7	116.818	C2	C3	H9	118.682
C2	C4	H8	116.818	C2	C4	H10	118.682
C3	C1	C4	97.923	C3	C1	H5	130.016
C3	C2	C4	97.923	C3	C2	H6	130.016
C4	C1	H5	130.016	C4	C2	H6	130.016
H7	C3	H9	114.569	H8	C4	H10	114.569

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

using model chemistry: MP2/LANL2DZ

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: MP2/LANL2DZ

States and conformations

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