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	hartrees
Energy at 0K	-154.344424
Energy at 298.15K	-154.350764
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	3181	0.54
2	A₁	3243	3085	23.69
3	A₁	3146	2992	26.46
4	A₁	1594	1517	0.49
5	A₁	1247	1186	1.21
6	A₁	1102	1048	0.22
7	A₁	827	787	3.52
8	A₁	789	751	12.04
9	A₁	433	412	2.72
10	A₂	1240	1179	0.00
11	A₂	1156	1100	0.00
12	A₂	979	931	0.00
13	A₂	796	758	0.00
14	B₁	3329	3167	0.44
15	B₁	1214	1155	35.81
16	B₁	1178	1120	6.69
17	B₁	1048	997	0.73
18	B₁	728	692	54.49
19	B₂	3244	3086	5.20
20	B₂	3150	2997	24.88
21	B₂	1569	1493	0.03
22	B₂	1316	1252	0.04
23	B₂	1076	1024	0.79
24	B₂	979	931	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)