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	hartrees
Energy at 0K	-154.344424
Energy at 298.15K	-154.350774
HF Energy	-153.984335
Nuclear repulsion energy	114.576714

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3344	3192	0.54
2	A₁	3243	3095	23.69
3	A₁	3146	3003	26.46
4	A₁	1594	1522	0.49
5	A₁	1247	1190	1.21
6	A₁	1102	1052	0.22
7	A₁	827	789	3.52
8	A₁	789	753	12.04
9	A₁	433	413	2.72
10	A₂	1240	1183	0.00
11	A₂	1156	1104	0.00
12	A₂	979	934	0.00
13	A₂	796	760	0.00
14	B₁	3329	3178	0.44
15	B₁	1214	1159	35.81
16	B₁	1178	1124	6.69
17	B₁	1048	1000	0.73
18	B₁	728	694	54.49
19	B₂	3244	3096	5.20
20	B₂	3150	3007	24.88
21	B₂	1569	1498	0.03
22	B₂	1316	1257	0.04
23	B₂	1076	1027	0.79
24	B₂	979	935	0.04

Atom	x (Å)	y (Å)	z (Å)
C1	0.765	0.000	-0.334
C2	-0.765	0.000	-0.334
C3	0.000	1.151	0.323
C4	0.000	-1.151	0.323
H5	1.490	0.000	-1.126
H6	-1.490	0.000	-1.126
H7	0.000	2.094	-0.216
H8	0.000	-2.094	-0.216
H9	0.000	1.236	1.408
H10	0.000	-1.236	1.408

	C1	C2	C3	C4	H5	H6	H7	H8	H9	H10
C1		1.5298	1.5304	1.5304	1.0737	2.3902	2.2328	2.2328	2.2692	2.2692
C2	1.5298		1.5304	1.5304	2.3902	1.0737	2.2328	2.2328	2.2692	2.2692
C3	1.5304	1.5304		2.3014	2.3762	2.3762	1.0867	3.2895	1.0880	2.6217
C4	1.5304	1.5304	2.3014		2.3762	2.3762	3.2895	1.0867	2.6217	1.0880
H5	1.0737	2.3902	2.3762	2.3762		2.9808	2.7270	2.7270	3.1891	3.1891
H6	2.3902	1.0737	2.3762	2.3762	2.9808		2.7270	2.7270	3.1891	3.1891
H7	2.2328	2.2328	1.0867	3.2895	2.7270	2.7270		4.1886	1.8365	3.7051
H8	2.2328	2.2328	3.2895	1.0867	2.7270	2.7270	4.1886		3.7051	1.8365
H9	2.2692	2.2692	1.0880	2.6217	3.1891	3.1891	1.8365	3.7051		2.4721
H10	2.2692	2.2692	2.6217	1.0880	3.1891	3.1891	3.7051	1.8365	2.4721

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	60.012	C1	C2	C4	60.012
C1	C2	H6	132.507	C1	C3	C2	59.977
C1	C3	H7	116.086	C1	C3	H9	119.177
C1	C4	C2	59.977	C1	C4	H8	116.086
C1	C4	H10	119.177	C2	C1	C3	60.012
C2	C1	C4	60.012	C2	C1	H5	132.507
C2	C3	H7	116.086	C2	C3	H9	119.177
C2	C4	H8	116.086	C2	C4	H10	119.177
C3	C1	C4	97.516	C3	C1	H5	130.890
C3	C2	C4	97.516	C3	C2	H6	130.890
C4	C1	H5	130.890	C4	C2	H6	130.890
H7	C3	H9	115.236	H8	C4	H10	115.236

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

using model chemistry: MP2/3-21G

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: MP2/3-21G

States and conformations

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