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	hartrees
Energy at 0K	-25.356581
Energy at 298.15K	-25.363109
HF Energy	-25.356581
Nuclear repulsion energy	62.642076

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3407	3078	6.83
2	A₁	3321	3001	47.60
3	A₁	3222	2911	71.88
4	A₁	1661	1501	0.01
5	A₁	1392	1257	2.22
6	A₁	1186	1071	0.04
7	A₁	930	840	0.00
8	A₁	772	698	9.23
9	A₁	460	416	1.33
10	A₂	1288	1163	0.00
11	A₂	1190	1075	0.00
12	A₂	995	899	0.00
13	A₂	923	834	0.00
14	B₁	3392	3065	9.28
15	B₁	1287	1163	11.70
16	B₁	1234	1115	3.77
17	B₁	1112	1004	3.66
18	B₁	807	729	91.58
19	B₂	3323	3002	28.09
20	B₂	3223	2912	67.24
21	B₂	1623	1466	1.13
22	B₂	1420	1283	2.08
23	B₂	1178	1064	0.73
24	B₂	1013	915	0.60

Atom	x (Å)	y (Å)	z (Å)
C1	0.741	0.000	-0.326
C2	-0.741	0.000	-0.326
C3	0.000	1.132	0.318
C4	0.000	-1.132	0.318
H5	1.444	0.000	-1.136
H6	-1.444	0.000	-1.136
H7	0.000	2.076	-0.210
H8	0.000	-2.076	-0.210
H9	0.000	1.229	1.398
H10	0.000	-1.229	1.398

	C1	C2	C3	C4	H5	H6	H7	H8	H9	H10
C1		1.4827	1.4986	1.4986	1.0725	2.3311	2.2071	2.2071	2.2431	2.2431
C2	1.4827		1.4986	1.4986	2.3311	1.0725	2.2071	2.2071	2.2431	2.2431
C3	1.4986	1.4986		2.2645	2.3412	2.3412	1.0808	3.2510	1.0846	2.5966
C4	1.4986	1.4986	2.2645		2.3412	2.3412	3.2510	1.0808	2.5966	1.0846
H5	1.0725	2.3311	2.3412	2.3412		2.8890	2.6931	2.6931	3.1650	3.1650
H6	2.3311	1.0725	2.3412	2.3412	2.8890		2.6931	2.6931	3.1650	3.1650
H7	2.2071	2.2071	1.0808	3.2510	2.6931	2.6931		4.1513	1.8170	3.6749
H8	2.2071	2.2071	3.2510	1.0808	2.6931	2.6931	4.1513		3.6749	1.8170
H9	2.2431	2.2431	1.0846	2.5966	3.1650	3.1650	1.8170	3.6749		2.4579
H10	2.2431	2.2431	2.5966	1.0846	3.1650	3.1650	3.6749	1.8170	2.4579

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	60.350	C1	C2	C4	60.350
C1	C2	H6	130.962	C1	C3	C2	59.300
C1	C3	H7	116.736	C1	C3	H9	119.678
C1	C4	C2	59.300	C1	C4	H8	116.736
C1	C4	H10	119.678	C2	C1	C3	60.350
C2	C1	C4	60.350	C2	C1	H5	130.962
C2	C3	H7	116.736	C2	C3	H9	119.678
C2	C4	H8	116.736	C2	C4	H10	119.678
C3	C1	C4	98.143	C3	C1	H5	130.438
C3	C2	C4	98.143	C3	C2	H6	130.438
C4	C1	H5	130.438	C4	C2	H6	130.438
H7	C3	H9	114.094	H8	C4	H10	114.094

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

using model chemistry: HF/CEP-121G*

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	-0.029
2	C	-0.029
3	C	-0.543
4	C	-0.543
5	H	0.238
6	H	0.238
7	H	0.162
8	H	0.162
9	H	0.171
10	H	0.171

<r²>	54.311
(<r²>)^1/2	7.370

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

using model chemistry: HF/CEP-121G*

States and conformations

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