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	hartrees
Energy at 0K	-155.438521
Energy at 298.15K	-155.444888
HF Energy	-154.881582
Nuclear repulsion energy	116.655525

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3354	3141	0.83
2	A₁	3271	3064	24.36
3	A₁	3159	2959	43.05
4	A₁	1589	1488	0.01
5	A₁	1333	1248	1.79
6	A₁	1141	1068	0.00
7	A₁	892	836	0.26
8	A₁	674	631	6.58
9	A₁	423	396	1.38
10	A₂	1230	1152	0.00
11	A₂	1126	1055	0.00
12	A₂	963	902	0.00
13	A₂	894	837	0.00
14	B₁	3342	3129	2.27
15	B₁	1211	1135	18.05
16	B₁	1181	1106	4.37
17	B₁	1034	968	2.74
18	B₁	785	735	68.18
19	B₂	3273	3066	8.64
20	B₂	3165	2964	36.15
21	B₂	1550	1451	0.91
22	B₂	1376	1289	0.05
23	B₂	1151	1078	0.33
24	B₂	983	921	0.48

Atom	x (Å)	y (Å)	z (Å)
C1	0.749	0.000	-0.312
C2	-0.749	0.000	-0.312
C3	0.000	1.131	0.310
C4	0.000	-1.131	0.310
H5	1.412	0.000	-1.159
H6	-1.412	0.000	-1.159
H7	0.000	2.074	-0.225
H8	0.000	-2.074	-0.225
H9	0.000	1.233	1.394
H10	0.000	-1.233	1.394

	C1	C2	C3	C4	H5	H6	H7	H8	H9	H10
C1		1.4990	1.4928	1.4928	1.0750	2.3214	2.2066	2.2066	2.2338	2.2338
C2	1.4990		1.4928	1.4928	2.3214	1.0750	2.2066	2.2066	2.2338	2.2338
C3	1.4928	1.4928		2.2623	2.3305	2.3305	1.0840	3.2492	1.0879	2.6001
C4	1.4928	1.4928	2.2623		2.3305	2.3305	3.2492	1.0840	2.6001	1.0879
H5	1.0750	2.3214	2.3305	2.3305		2.8242	2.6767	2.6767	3.1665	3.1665
H6	2.3214	1.0750	2.3305	2.3305	2.8242		2.6767	2.6767	3.1665	3.1665
H7	2.2066	2.2066	1.0840	3.2492	2.6767	2.6767		4.1472	1.8243	3.6813
H8	2.2066	2.2066	3.2492	1.0840	2.6767	2.6767	4.1472		3.6813	1.8243
H9	2.2338	2.2338	1.0879	2.6001	3.1665	3.1665	1.8243	3.6813		2.4652
H10	2.2338	2.2338	2.6001	1.0879	3.1665	3.1665	3.6813	1.8243	2.4652

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	59.864	C1	C2	C4	59.864
C1	C2	H6	128.050	C1	C3	C2	60.273
C1	C3	H7	116.922	C1	C3	H9	119.059
C1	C4	C2	60.273	C1	C4	H8	116.922
C1	C4	H10	119.059	C2	C1	C3	59.864
C2	C1	C4	59.864	C2	C1	H5	128.050
C2	C3	H7	116.922	C2	C3	H9	119.059
C2	C4	H8	116.922	C2	C4	H10	119.059
C3	C1	C4	98.529	C3	C1	H5	129.622
C3	C2	C4	98.529	C3	C2	H6	129.622
C4	C1	H5	129.622	C4	C2	H6	129.622
H7	C3	H9	114.261	H8	C4	H10	114.261

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)