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	hartrees
Energy at 0K	-155.497586
Energy at 298.15K	-155.503901
HF Energy	-154.918293
Nuclear repulsion energy	116.668186

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3314	3141	0.52
2	A₁	3231	3063	22.88
3	A₁	3120	2958	43.35
4	A₁	1557	1476	0.19
5	A₁	1307	1239	3.09
6	A₁	1126	1068	0.11
7	A₁	869	824	0.03
8	A₁	650	616	3.35
9	A₁	413	392	1.16
10	A₂	1202	1139	0.00
11	A₂	1110	1052	0.00
12	A₂	939	890	0.00
13	A₂	872	827	0.00
14	B₁	3301	3129	0.85
15	B₁	1183	1121	11.51
16	B₁	1175	1114	12.36
17	B₁	1015	962	4.19
18	B₁	754	715	82.42
19	B₂	3234	3065	7.22
20	B₂	3128	2965	35.90
21	B₂	1523	1444	0.14
22	B₂	1337	1267	0.05
23	B₂	1136	1076	0.50
24	B₂	971	921	0.32

Atom	x (Å)	y (Å)	z (Å)
C1	0.751	0.000	-0.312
C2	-0.751	0.000	-0.312
C3	0.000	1.130	0.311
C4	0.000	-1.130	0.311
H5	1.400	0.000	-1.170
H6	-1.400	0.000	-1.170
H7	0.000	2.074	-0.221
H8	0.000	-2.074	-0.221
H9	0.000	1.218	1.396
H10	0.000	-1.218	1.396

	C1	C2	C3	C4	H5	H6	H7	H8	H9	H10
C1		1.5025	1.4929	1.4929	1.0755	2.3157	2.2077	2.2077	2.2282	2.2282
C2	1.5025		1.4929	1.4929	2.3157	1.0755	2.2077	2.2077	2.2282	2.2282
C3	1.4929	1.4929		2.2591	2.3301	2.3301	1.0843	3.2475	1.0879	2.5860
C4	1.4929	1.4929	2.2591		2.3301	2.3301	3.2475	1.0843	2.5860	1.0879
H5	1.0755	2.3157	2.3301	2.3301		2.7994	2.6759	2.6759	3.1664	3.1664
H6	2.3157	1.0755	2.3301	2.3301	2.7994		2.6759	2.6759	3.1664	3.1664
H7	2.2077	2.2077	1.0843	3.2475	2.6759	2.6759		4.1479	1.8296	3.6678
H8	2.2077	2.2077	3.2475	1.0843	2.6759	2.6759	4.1479		3.6678	1.8296
H9	2.2282	2.2282	1.0879	2.5860	3.1664	3.1664	1.8296	3.6678		2.4364
H10	2.2282	2.2282	2.5860	1.0879	3.1664	3.1664	3.6678	1.8296	2.4364

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	59.788	C1	C2	C4	59.788
C1	C2	H6	127.083	C1	C3	C2	60.423
C1	C3	H7	116.986	C1	C3	H9	118.545
C1	C4	C2	60.423	C1	C4	H8	116.986
C1	C4	H10	118.545	C2	C1	C3	59.788
C2	C1	C4	59.788	C2	C1	H5	127.083
C2	C3	H7	116.986	C2	C3	H9	118.545
C2	C4	H8	116.986	C2	C4	H10	118.545
C3	C1	C4	98.328	C3	C1	H5	129.535
C3	C2	C4	98.328	C3	C2	H6	129.535
C4	C1	H5	129.535	C4	C2	H6	129.535
H7	C3	H9	114.756	H8	C4	H10	114.756

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

using model chemistry: MP2/TZVP

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/TZVP

States and conformations

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