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	hartrees
Energy at 0K	-154.351161
Energy at 298.15K	-154.357513
HF Energy	-153.984393
Nuclear repulsion energy	114.599672

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3345	3194	0.52
2	A₁	3244	3097	23.63
3	A₁	3146	3004	26.32
4	A₁	1595	1523	0.50
5	A₁	1247	1191	1.21
6	A₁	1102	1052	0.21
7	A₁	828	790	3.68
8	A₁	791	756	11.95
9	A₁	434	414	2.70
10	A₂	1240	1184	0.00
11	A₂	1157	1104	0.00
12	A₂	979	935	0.00
13	A₂	797	761	0.00
14	B₁	3330	3180	0.42
15	B₁	1214	1159	35.90
16	B₁	1178	1125	6.72
17	B₁	1049	1001	0.73
18	B₁	728	695	54.38
19	B₂	3245	3098	5.16
20	B₂	3151	3008	24.74
21	B₂	1570	1499	0.03
22	B₂	1317	1257	0.04
23	B₂	1076	1028	0.79
24	B₂	979	935	0.04

Atom	x (Å)	y (Å)	z (Å)
C1	0.765	0.000	-0.335
C2	-0.765	0.000	-0.335
C3	0.000	1.150	0.323
C4	0.000	-1.150	0.323
H5	1.491	0.000	-1.126
H6	-1.491	0.000	-1.126
H7	0.000	2.094	-0.215
H8	0.000	-2.094	-0.215
H9	0.000	1.235	1.408
H10	0.000	-1.235	1.408

	C1	C2	C3	C4	H5	H6	H7	H8	H9	H10
C1		1.5293	1.5301	1.5301	1.0736	2.3899	2.2325	2.2325	2.2688	2.2688
C2	1.5293		1.5301	1.5301	2.3899	1.0736	2.2325	2.2325	2.2688	2.2688
C3	1.5301	1.5301		2.3008	2.3759	2.3759	1.0865	3.2888	1.0878	2.6206
C4	1.5301	1.5301	2.3008		2.3759	2.3759	3.2888	1.0865	2.6206	1.0878
H5	1.0736	2.3899	2.3759	2.3759		2.9810	2.7269	2.7269	3.1885	3.1885
H6	2.3899	1.0736	2.3759	2.3759	2.9810		2.7269	2.7269	3.1885	3.1885
H7	2.2325	2.2325	1.0865	3.2888	2.7269	2.7269		4.1881	1.8362	3.7039
H8	2.2325	2.2325	3.2888	1.0865	2.7269	2.7269	4.1881		3.7039	1.8362
H9	2.2688	2.2688	1.0878	2.6206	3.1885	3.1885	1.8362	3.7039		2.4706
H10	2.2688	2.2688	2.6206	1.0878	3.1885	3.1885	3.7039	1.8362	2.4706

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	60.016	C1	C2	C4	60.016
C1	C2	H6	132.539	C1	C3	C2	59.967
C1	C3	H7	116.094	C1	C3	H9	119.174
C1	C4	C2	59.967	C1	C4	H8	116.094
C1	C4	H10	119.174	C2	C1	C3	60.016
C2	C1	C4	60.016	C2	C1	H5	132.539
C2	C3	H7	116.094	C2	C3	H9	119.174
C2	C4	H8	116.094	C2	C4	H10	119.174
C3	C1	C4	97.502	C3	C1	H5	130.902
C3	C2	C4	97.502	C3	C2	H6	130.902
C4	C1	H5	130.902	C4	C2	H6	130.902
H7	C3	H9	115.234	H8	C4	H10	115.234

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

using model chemistry: MP2=FULL/3-21G

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=FULL/3-21G

States and conformations

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