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	hartrees
Energy at 0K	-25.581351
Energy at 298.15K	-25.587584
HF Energy	-25.254784
Nuclear repulsion energy	60.514389

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3269	3159	10.08
2	A₁	3214	3106	50.24
3	A₁	3094	2990	44.64
4	A₁	1549	1497	0.14
5	A₁	1260	1218	0.54
6	A₁	1101	1063	0.77
7	A₁	812	784	7.18
8	A₁	653	631	8.22
9	A₁	404	391	6.28
10	A₂	1201	1161	0.00
11	A₂	1158	1119	0.00
12	A₂	936	904	0.00
13	A₂	844	815	0.00
14	B₁	3252	3142	4.54
15	B₁	1206	1165	31.36
16	B₁	1148	1109	1.26
17	B₁	1016	981	1.96
18	B₁	715	691	94.24
19	B₂	3216	3107	20.48
20	B₂	3098	2993	68.25
21	B₂	1527	1476	0.10
22	B₂	1302	1258	1.16
23	B₂	1102	1065	1.44
24	B₂	967	934	0.12

Atom	x (Å)	y (Å)	z (Å)
C1	0.796	0.000	-0.320
C2	-0.796	0.000	-0.320
C3	0.000	1.174	0.320
C4	0.000	-1.174	0.320
H5	1.465	0.000	-1.186
H6	-1.465	0.000	-1.186
H7	0.000	2.129	-0.235
H8	0.000	-2.129	-0.235
H9	0.000	1.279	1.420
H10	0.000	-1.279	1.420

	C1	C2	C3	C4	H5	H6	H7	H8	H9	H10
C1		1.5916	1.5559	1.5559	1.0941	2.4206	2.2740	2.2740	2.3017	2.3017
C2	1.5916		1.5559	1.5559	2.4206	1.0941	2.2740	2.2740	2.3017	2.3017
C3	1.5559	1.5559		2.3480	2.4063	2.4063	1.1039	3.3488	1.1056	2.6887
C4	1.5559	1.5559	2.3480		2.4063	2.4063	3.3488	1.1039	2.6887	1.1056
H5	1.0941	2.4206	2.4063	2.4063		2.9294	2.7532	2.7532	3.2516	3.2516
H6	2.4206	1.0941	2.4063	2.4063	2.9294		2.7532	2.7532	3.2516	3.2516
H7	2.2740	2.2740	1.1039	3.3488	2.7532	2.7532		4.2571	1.8604	3.7883
H8	2.2740	2.2740	3.3488	1.1039	2.7532	2.7532	4.2571		3.7883	1.8604
H9	2.3017	2.3017	1.1056	2.6887	3.2516	3.2516	1.8604	3.7883		2.5581
H10	2.3017	2.3017	2.6887	1.1056	3.2516	3.2516	3.7883	1.8604	2.5581

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	59.238	C1	C2	C4	59.238
C1	C2	H6	127.687	C1	C3	C2	61.525
C1	C3	H7	116.486	C1	C3	H9	118.747
C1	C4	C2	61.525	C1	C4	H8	116.486
C1	C4	H10	118.747	C2	C1	C3	59.238
C2	C1	C4	59.238	C2	C1	H5	127.687
C2	C3	H7	116.486	C2	C3	H9	118.747
C2	C4	H8	116.486	C2	C4	H10	118.747
C3	C1	C4	97.977	C3	C1	H5	129.644
C3	C2	C4	97.977	C3	C2	H6	129.644
C4	C1	H5	129.644	C4	C2	H6	129.644
H7	C3	H9	114.700	H8	C4	H10	114.700

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)