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	hartrees
Energy at 0K	-154.790248
Energy at 298.15K	-154.796850
HF Energy	-154.790248
Nuclear repulsion energy	116.504639

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3472	3135	1.73
2	A₁	3361	3035	35.95
3	A₁	3267	2950	44.39
4	A₁	1679	1516	0.62
5	A₁	1390	1255	1.60
6	A₁	1208	1091	0.00
7	A₁	921	831	0.09
8	A₁	863	779	12.83
9	A₁	490	442	1.36
10	A₂	1318	1190	0.00
11	A₂	1232	1112	0.00
12	A₂	1025	925	0.00
13	A₂	906	818	0.00
14	B₁	3454	3119	1.87
15	B₁	1306	1179	25.80
16	B₁	1267	1144	0.06
17	B₁	1145	1033	7.07
18	B₁	812	733	85.29
19	B₂	3362	3036	14.79
20	B₂	3269	2951	38.78
21	B₂	1647	1487	0.06
22	B₂	1423	1285	1.78
23	B₂	1168	1054	2.14
24	B₂	1043	942	0.01

Atom	x (Å)	y (Å)	z (Å)
C1	0.742	0.000	-0.334
C2	-0.742	0.000	-0.334
C3	0.000	1.133	0.319
C4	0.000	-1.133	0.319
H5	1.466	0.000	-1.114
H6	-1.466	0.000	-1.114
H7	0.000	2.079	-0.191
H8	0.000	-2.079	-0.191
H9	0.000	1.216	1.393
H10	0.000	-1.216	1.393

	C1	C2	C3	C4	H5	H6	H7	H8	H9	H10
C1		1.4833	1.5037	1.5037	1.0645	2.3413	2.2124	2.2124	2.2390	2.2390
C2	1.4833		1.5037	1.5037	2.3413	1.0645	2.2124	2.2124	2.2390	2.2390
C3	1.5037	1.5037		2.2667	2.3425	2.3425	1.0749	3.2531	1.0773	2.5837
C4	1.5037	1.5037	2.2667		2.3425	2.3425	3.2531	1.0749	2.5837	1.0773
H5	1.0645	2.3413	2.3425	2.3425		2.9316	2.7064	2.7064	3.1489	3.1489
H6	2.3413	1.0645	2.3425	2.3425	2.9316		2.7064	2.7064	3.1489	3.1489
H7	2.2124	2.2124	1.0749	3.2531	2.7064	2.7064		4.1589	1.8041	3.6570
H8	2.2124	2.2124	3.2531	1.0749	2.7064	2.7064	4.1589		3.6570	1.8041
H9	2.2390	2.2390	1.0773	2.5837	3.1489	3.1489	1.8041	3.6570		2.4329
H10	2.2390	2.2390	2.5837	1.0773	3.1489	3.1489	3.6570	1.8041	2.4329

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	60.447	C1	C2	C4	60.447
C1	C2	H6	132.863	C1	C3	C2	59.106
C1	C3	H7	117.210	C1	C3	H9	119.418
C1	C4	C2	59.106	C1	C4	H8	117.210
C1	C4	H10	119.418	C2	C1	C3	60.447
C2	C1	C4	60.447	C2	C1	H5	132.863
C2	C3	H7	117.210	C2	C3	H9	119.418
C2	C4	H8	117.210	C2	C4	H10	119.418
C3	C1	C4	97.828	C3	C1	H5	130.833
C3	C2	C4	97.828	C3	C2	H6	130.833
C4	C1	H5	130.833	C4	C2	H6	130.833
H7	C3	H9	113.912	H8	C4	H10	113.912

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

using model chemistry: HF/6-31G

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	-0.201
2	C	-0.201
3	C	-0.327
4	C	-0.327
5	H	0.194
6	H	0.194
7	H	0.171
8	H	0.171
9	H	0.163
10	H	0.163

<r²>	62.633
(<r²>)^1/2	7.914

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

using model chemistry: HF/6-31G

States and conformations

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