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	hartrees
Energy at 0K	-25.833672
Energy at 298.15K	-25.839954
HF Energy	-25.344105
Nuclear repulsion energy	61.631316

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3287	3121	3.06
2	A₁	3243	3079	30.90
3	A₁	3125	2967	33.60
4	A₁	1559	1480	0.01
5	A₁	1305	1239	0.69
6	A₁	1114	1058	0.62
7	A₁	858	815	1.21
8	A₁	669	636	9.00
9	A₁	415	394	4.18
10	A₂	1206	1145	0.00
11	A₂	1114	1057	0.00
12	A₂	943	896	0.00
13	A₂	889	844	0.00
14	B₁	3276	3111	2.53
15	B₁	1180	1120	17.28
16	B₁	1167	1108	12.56
17	B₁	996	945	1.38
18	B₁	749	711	100.18
19	B₂	3244	3080	12.14
20	B₂	3129	2971	52.78
21	B₂	1525	1447	0.00
22	B₂	1340	1272	0.27
23	B₂	1133	1076	0.59
24	B₂	956	907	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.771	0.000	-0.312
C2	-0.771	0.000	-0.312
C3	0.000	1.150	0.315
C4	0.000	-1.150	0.315
H5	1.417	0.000	-1.190
H6	-1.417	0.000	-1.190
H7	0.000	2.098	-0.242
H8	0.000	-2.098	-0.242
H9	0.000	1.254	1.412
H10	0.000	-1.254	1.412

	C1	C2	C3	C4	H5	H6	H7	H8	H9	H10
C1		1.5415	1.5198	1.5198	1.0913	2.3581	2.2359	2.2359	2.2665	2.2665
C2	1.5415		1.5198	1.5198	2.3581	1.0913	2.2359	2.2359	2.2665	2.2665
C3	1.5198	1.5198		2.3005	2.3662	2.3662	1.0991	3.2955	1.1016	2.6429
C4	1.5198	1.5198	2.3005		2.3662	2.3662	3.2955	1.0991	2.6429	1.1016
H5	1.0913	2.3581	2.3662	2.3662		2.8349	2.7035	2.7035	3.2178	3.2178
H6	2.3581	1.0913	2.3662	2.3662	2.8349		2.7035	2.7035	3.2178	3.2178
H7	2.2359	2.2359	1.0991	3.2955	2.7035	2.7035		4.1955	1.8565	3.7379
H8	2.2359	2.2359	3.2955	1.0991	2.7035	2.7035	4.1955		3.7379	1.8565
H9	2.2665	2.2665	1.1016	2.6429	3.2178	3.2178	1.8565	3.7379		2.5087
H10	2.2665	2.2665	2.6429	1.1016	3.2178	3.2178	3.7379	1.8565	2.5087

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	59.526	C1	C2	C4	59.526
C1	C2	H6	126.342	C1	C3	C2	60.949
C1	C3	H7	116.325	C1	C3	H9	118.809
C1	C4	C2	60.949	C1	C4	H8	116.325
C1	C4	H10	118.809	C2	C1	C3	59.526
C2	C1	C4	59.526	C2	C1	H5	126.342
C2	C3	H7	116.325	C2	C3	H9	118.809
C2	C4	H8	116.325	C2	C4	H10	118.809
C3	C1	C4	98.379	C3	C1	H5	129.242
C3	C2	C4	98.379	C3	C2	H6	129.242
C4	C1	H5	129.242	C4	C2	H6	129.242
H7	C3	H9	115.037	H8	C4	H10	115.037

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

using model chemistry: MP2/CEP-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/CEP-31G*

States and conformations

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