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	hartrees
Energy at 0K	-155.934980
Energy at 298.15K	-155.941302
HF Energy	-155.934980
Nuclear repulsion energy	116.546727

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3251	3131	2.26
2	A₁	3168	3051	24.17
3	A₁	3060	2947	57.66
4	A₁	1527	1470	0.35
5	A₁	1309	1261	2.21
6	A₁	1109	1068	0.04
7	A₁	889	856	0.33
8	A₁	694	669	7.53
9	A₁	425	409	1.37
10	A₂	1175	1132	0.00
11	A₂	1075	1036	0.00
12	A₂	931	896	0.00
13	A₂	861	829	0.00
14	B₁	3237	3118	5.27
15	B₁	1172	1128	12.25
16	B₁	1130	1088	17.26
17	B₁	1002	965	4.06
18	B₁	763	735	73.61
19	B₂	3171	3054	13.82
20	B₂	3063	2950	46.12
21	B₂	1484	1429	0.02
22	B₂	1322	1273	0.01
23	B₂	1104	1064	0.81
24	B₂	949	914	0.02

Atom	x (Å)	y (Å)	z (Å)
C1	0.743	0.000	-0.320
C2	-0.743	0.000	-0.320
C3	0.000	1.132	0.315
C4	0.000	-1.132	0.315
H5	1.432	0.000	-1.151
H6	-1.432	0.000	-1.151
H7	0.000	2.081	-0.217
H8	0.000	-2.081	-0.217
H9	0.000	1.224	1.403
H10	0.000	-1.224	1.403

	C1	C2	C3	C4	H5	H6	H7	H8	H9	H10
C1		1.4856	1.4953	1.4953	1.0790	2.3276	2.2118	2.2118	2.2405	2.2405
C2	1.4856		1.4953	1.4953	2.3276	1.0790	2.2118	2.2118	2.2405	2.2405
C3	1.4953	1.4953		2.2638	2.3405	2.3405	1.0874	3.2562	1.0921	2.5953
C4	1.4953	1.4953	2.2638		2.3405	2.3405	3.2562	1.0874	2.5953	1.0921
H5	1.0790	2.3276	2.3405	2.3405		2.8631	2.6930	2.6930	3.1732	3.1732
H6	2.3276	1.0790	2.3405	2.3405	2.8631		2.6930	2.6930	3.1732	3.1732
H7	2.2118	2.2118	1.0874	3.2562	2.6930	2.6930		4.1615	1.8317	3.6804
H8	2.2118	2.2118	3.2562	1.0874	2.6930	2.6930	4.1615		3.6804	1.8317
H9	2.2405	2.2405	1.0921	2.5953	3.1732	3.1732	1.8317	3.6804		2.4486
H10	2.2405	2.2405	2.5953	1.0921	3.1732	3.1732	3.6804	1.8317	2.4486

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	60.214	C1	C2	C4	60.214
C1	C2	H6	129.669	C1	C3	C2	59.571
C1	C3	H7	116.949	C1	C3	H9	119.151
C1	C4	C2	59.571	C1	C4	H8	116.949
C1	C4	H10	119.151	C2	C1	C3	60.214
C2	C1	C4	60.214	C2	C1	H5	129.669
C2	C3	H7	116.949	C2	C3	H9	119.151
C2	C4	H8	116.949	C2	C4	H10	119.151
C3	C1	C4	98.391	C3	C1	H5	130.085
C3	C2	C4	98.391	C3	C2	H6	130.085
C4	C1	H5	130.085	C4	C2	H6	130.085
H7	C3	H9	114.377	H8	C4	H10	114.377

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

using model chemistry: B3PW91/6-311G**

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	-0.175
2	C	-0.175
3	C	-0.198
4	C	-0.198
5	H	0.124
6	H	0.124
7	H	0.128
8	H	0.128
9	H	0.121
10	H	0.121

<r²>	62.358
(<r²>)^1/2	7.897

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

using model chemistry: B3PW91/6-311G**

States and conformations

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