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	hartrees
Energy at 0K	-155.489592
Energy at 298.15K	-155.496015
HF Energy	-154.882018
Nuclear repulsion energy	116.739560

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3369	3369	1.58
2	A₁	3282	3282	25.89
3	A₁	3176	3176	46.28
4	A₁	1604	1604	0.00
5	A₁	1349	1349	1.42
6	A₁	1151	1151	0.03
7	A₁	909	909	0.48
8	A₁	723	723	7.51
9	A₁	438	438	1.00
10	A₂	1241	1241	0.00
11	A₂	1137	1137	0.00
12	A₂	968	968	0.00
13	A₂	902	902	0.00
14	B₁	3356	3356	3.94
15	B₁	1230	1230	16.73
16	B₁	1185	1185	3.37
17	B₁	1052	1052	3.35
18	B₁	793	793	64.83
19	B₂	3283	3283	11.93
20	B₂	3180	3180	37.08
21	B₂	1565	1565	0.76
22	B₂	1387	1387	0.33
23	B₂	1148	1148	0.49
24	B₂	988	988	0.57

Atom	x (Å)	y (Å)	z (Å)
C1	0.744	0.000	-0.318
C2	-0.744	0.000	-0.318
C3	0.000	1.131	0.313
C4	0.000	-1.131	0.313
H5	1.426	0.000	-1.146
H6	-1.426	0.000	-1.146
H7	0.000	2.074	-0.218
H8	0.000	-2.074	-0.218
H9	0.000	1.230	1.395
H10	0.000	-1.230	1.395

	C1	C2	C3	C4	H5	H6	H7	H8	H9	H10
C1		1.4876	1.4941	1.4941	1.0725	2.3220	2.2052	2.2052	2.2362	2.2362
C2	1.4876		1.4941	1.4941	2.3220	1.0725	2.2052	2.2052	2.2362	2.2362
C3	1.4941	1.4941		2.2626	2.3331	2.3331	1.0816	3.2486	1.0856	2.5971
C4	1.4941	1.4941	2.2626		2.3331	2.3331	3.2486	1.0816	2.5971	1.0856
H5	1.0725	2.3220	2.3331	2.3331		2.8512	2.6822	2.6822	3.1625	3.1625
H6	2.3220	1.0725	2.3331	2.3331	2.8512		2.6822	2.6822	3.1625	3.1625
H7	2.2052	2.2052	1.0816	3.2486	2.6822	2.6822		4.1471	1.8196	3.6761
H8	2.2052	2.2052	3.2486	1.0816	2.6822	2.6822	4.1471		3.6761	1.8196
H9	2.2362	2.2362	1.0856	2.5971	3.1625	3.1625	1.8196	3.6761		2.4602
H10	2.2362	2.2362	2.5971	1.0856	3.1625	3.1625	3.6761	1.8196	2.4602

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	60.144	C1	C2	C4	60.144
C1	C2	H6	129.472	C1	C3	C2	59.712
C1	C3	H7	116.864	C1	C3	H9	119.344
C1	C4	C2	59.712	C1	C4	H8	116.864
C1	C4	H10	119.344	C2	C1	C3	60.144
C2	C1	C4	60.144	C2	C1	H5	129.472
C2	C3	H7	116.864	C2	C3	H9	119.344
C2	C4	H8	116.864	C2	C4	H10	119.344
C3	C1	C4	98.431	C3	C1	H5	130.011
C3	C2	C4	98.431	C3	C2	H6	130.011
C4	C1	H5	130.011	C4	C2	H6	130.011
H7	C3	H9	114.194	H8	C4	H10	114.194

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

using model chemistry: MP3=FULL/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: MP3=FULL/6-31G**

States and conformations

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