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	hartrees
Energy at 0K	-155.389974
Energy at 298.15K	-155.396324
HF Energy	-154.870604
Nuclear repulsion energy	116.446570

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3318	3129	0.78
2	A₁	3239	3055	22.74
3	A₁	3135	2956	40.89
4	A₁	1586	1495	0.11
5	A₁	1332	1256	1.65
6	A₁	1141	1076	0.01
7	A₁	893	842	0.20
8	A₁	671	632	7.25
9	A₁	426	402	1.79
10	A₂	1226	1156	0.00
11	A₂	1122	1058	0.00
12	A₂	962	907	0.00
13	A₂	892	841	0.00
14	B₁	3307	3119	2.12
15	B₁	1209	1140	20.17
16	B₁	1175	1108	6.83
17	B₁	1031	972	2.76
18	B₁	781	737	72.66
19	B₂	3242	3057	8.21
20	B₂	3140	2961	33.84
21	B₂	1548	1460	0.29
22	B₂	1371	1293	0.01
23	B₂	1151	1086	0.47
24	B₂	985	929	0.16

Atom	x (Å)	y (Å)	z (Å)
C1	0.742	0.000	-0.319
C2	-0.742	0.000	-0.319
C3	0.000	1.132	0.313
C4	0.000	-1.132	0.313
H5	1.446	0.000	-1.140
H6	-1.446	0.000	-1.140
H7	0.000	2.080	-0.224
H8	0.000	-2.080	-0.224
H9	0.000	1.235	1.401
H10	0.000	-1.235	1.401

	C1	C2	C3	C4	H5	H6	H7	H8	H9	H10
C1		1.4840	1.4939	1.4939	1.0811	2.3367	2.2102	2.2102	2.2438	2.2438
C2	1.4840		1.4939	1.4939	2.3367	1.0811	2.2102	2.2102	2.2438	2.2438
C3	1.4939	1.4939		2.2639	2.3415	2.3415	1.0892	3.2562	1.0927	2.6050
C4	1.4939	1.4939	2.2639		2.3415	2.3415	3.2562	1.0892	2.6050	1.0927
H5	1.0811	2.3367	2.3415	2.3415		2.8918	2.6935	2.6935	3.1735	3.1735
H6	2.3367	1.0811	2.3415	2.3415	2.8918		2.6935	2.6935	3.1735	3.1735
H7	2.2102	2.2102	1.0892	3.2562	2.6935	2.6935		4.1594	1.8312	3.6915
H8	2.2102	2.2102	3.2562	1.0892	2.6935	2.6935	4.1594		3.6915	1.8312
H9	2.2438	2.2438	1.0927	2.6050	3.1735	3.1735	1.8312	3.6915		2.4700
H10	2.2438	2.2438	2.6050	1.0927	3.1735	3.1735	3.6915	1.8312	2.4700

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	60.219	C1	C2	C4	60.219
C1	C2	H6	130.625	C1	C3	C2	59.562
C1	C3	H7	116.789	C1	C3	H9	119.524
C1	C4	C2	59.562	C1	C4	H8	116.789
C1	C4	H10	119.524	C2	C1	C3	60.219
C2	C1	C4	60.219	C2	C1	H5	130.625
C2	C3	H7	116.789	C2	C3	H9	119.524
C2	C4	H8	116.789	C2	C4	H10	119.524
C3	C1	C4	98.531	C3	C1	H5	130.138
C3	C2	C4	98.531	C3	C2	H6	130.138
C4	C1	H5	130.138	C4	C2	H6	130.138
H7	C3	H9	114.120	H8	C4	H10	114.120

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

using model chemistry: MP2/6-31G*

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: MP2/6-31G*

States and conformations

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