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	hartrees
Energy at 0K	-154.106186
Energy at 298.15K	-154.112468
HF Energy	-154.106186
Nuclear repulsion energy	114.770206

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3522	3522	2.20
2	A₁	3509	3509	7.84
3	A₁	3357	3357	1.05
4	A₁	1680	1680	0.07
5	A₁	1412	1412	0.04
6	A₁	1179	1179	0.14
7	A₁	991	991	6.20
8	A₁	810	810	5.53
9	A₁	471	471	1.23
10	A₂	1269	1269	0.00
11	A₂	1190	1190	0.00
12	A₂	1007	1007	0.00
13	A₂	943	943	0.00
14	B₁	3494	3494	14.62
15	B₁	1305	1305	16.24
16	B₁	1219	1219	0.03
17	B₁	1078	1078	0.01
18	B₁	866	866	23.05
19	B₂	3510	3510	0.65
20	B₂	3360	3360	0.26
21	B₂	1635	1635	2.55
22	B₂	1443	1443	0.43
23	B₂	1148	1148	0.35
24	B₂	997	997	0.78

Atom	x (Å)	y (Å)	z (Å)
C1	0.753	0.000	-0.349
C2	-0.753	0.000	-0.349
C3	0.000	1.136	0.331
C4	0.000	-1.136	0.331
H5	1.511	0.000	-1.137
H6	-1.511	0.000	-1.137
H7	0.000	2.106	-0.186
H8	0.000	-2.106	-0.186
H9	0.000	1.211	1.431
H10	0.000	-1.211	1.431

	C1	C2	C3	C4	H5	H6	H7	H8	H9	H10
C1		1.5069	1.5233	1.5233	1.0933	2.3980	2.2424	2.2424	2.2813	2.2813
C2	1.5069		1.5233	1.5233	2.3980	1.0933	2.2424	2.2424	2.2813	2.2813
C3	1.5233	1.5233		2.2714	2.3938	2.3938	1.0993	3.2824	1.1024	2.5920
C4	1.5233	1.5233	2.2714		2.3938	2.3938	3.2824	1.0993	2.5920	1.1024
H5	1.0933	2.3980	2.3938	2.3938		3.0229	2.7610	2.7610	3.2167	3.2167
H6	2.3980	1.0933	2.3938	2.3938	3.0229		2.7610	2.7610	3.2167	3.2167
H7	2.2424	2.2424	1.0993	3.2824	2.7610	2.7610		4.2114	1.8479	3.6903
H8	2.2424	2.2424	3.2824	1.0993	2.7610	2.7610	4.2114		3.6903	1.8479
H9	2.2813	2.2813	1.1024	2.5920	3.2167	3.2167	1.8479	3.6903		2.4228
H10	2.2813	2.2813	2.5920	1.1024	3.2167	3.2167	3.6903	1.8479	2.4228

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	60.355	C1	C2	C4	60.355
C1	C2	H6	133.893	C1	C3	C2	59.289
C1	C3	H7	116.593	C1	C3	H9	119.789
C1	C4	C2	59.289	C1	C4	H8	116.593
C1	C4	H10	119.789	C2	C1	C3	60.355
C2	C1	C4	60.355	C2	C1	H5	133.893
C2	C3	H7	116.593	C2	C3	H9	119.789
C2	C4	H8	116.593	C2	C4	H10	119.789
C3	C1	C4	96.413	C3	C1	H5	131.668
C3	C2	C4	96.413	C3	C2	H6	131.668
C4	C1	H5	131.668	C4	C2	H6	131.668
H7	C3	H9	114.134	H8	C4	H10	114.134

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

using model chemistry: TPSSh/STO-3G

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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Number	Element	Mulliken
1	C	-0.105
2	C	-0.105
3	C	-0.129
4	C	-0.129
5	H	0.088
6	H	0.088
7	H	0.076
8	H	0.076
9	H	0.071
10	H	0.071

<r²>	62.824
(<r²>)^1/2	7.926

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

using model chemistry: TPSSh/STO-3G

States and conformations

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