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	hartrees
Energy at 0K	-155.552846
Energy at 298.15K	-155.559239
HF Energy	-154.890755
Nuclear repulsion energy	116.563692

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3325	3149	0.31
2	A₁	3238	3067	18.27
3	A₁	3134	2968	34.33
4	A₁	1564	1481	0.05
5	A₁	1331	1261	1.36
6	A₁	1134	1074	0.03
7	A₁	913	865	0.43
8	A₁	718	680	7.67
9	A₁	438	415	1.21
10	A₂	1206	1143	0.00
11	A₂	1113	1054	0.00
12	A₂	952	902	0.00
13	A₂	883	836	0.00
14	B₁	3311	3136	1.83
15	B₁	1206	1142	14.99
16	B₁	1162	1101	6.58
17	B₁	1034	979	2.93
18	B₁	785	744	60.30
19	B₂	3239	3068	7.37
20	B₂	3138	2972	31.08
21	B₂	1522	1441	0.14
22	B₂	1352	1281	0.08
23	B₂	1123	1064	0.70
24	B₂	964	913	0.26

Atom	x (Å)	y (Å)	z (Å)
C1	0.742	0.000	-0.326
C2	-0.742	0.000	-0.326
C3	0.000	1.130	0.318
C4	0.000	-1.130	0.318
H5	1.439	0.000	-1.145
H6	-1.439	0.000	-1.145
H7	0.000	2.079	-0.208
H8	0.000	-2.079	-0.208
H9	0.000	1.215	1.403
H10	0.000	-1.215	1.403

	C1	C2	C3	C4	H5	H6	H7	H8	H9	H10
C1		1.4840	1.4974	1.4974	1.0753	2.3298	2.2110	2.2110	2.2401	2.2401
C2	1.4840		1.4974	1.4974	2.3298	1.0753	2.2110	2.2110	2.2401	2.2401
C3	1.4974	1.4974		2.2601	2.3425	2.3425	1.0852	3.2523	1.0890	2.5843
C4	1.4974	1.4974	2.2601		2.3425	2.3425	3.2523	1.0852	2.5843	1.0890
H5	1.0753	2.3298	2.3425	2.3425		2.8785	2.6968	2.6968	3.1687	3.1687
H6	2.3298	1.0753	2.3425	2.3425	2.8785		2.6968	2.6968	3.1687	3.1687
H7	2.2110	2.2110	1.0852	3.2523	2.6968	2.6968		4.1588	1.8287	3.6676
H8	2.2110	2.2110	3.2523	1.0852	2.6968	2.6968	4.1588		3.6676	1.8287
H9	2.2401	2.2401	1.0890	2.5843	3.1687	3.1687	1.8287	3.6676		2.4303
H10	2.2401	2.2401	2.5843	1.0890	3.1687	3.1687	3.6676	1.8287	2.4303

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	60.294	C1	C2	C4	60.294
C1	C2	H6	130.420	C1	C3	C2	59.412
C1	C3	H7	116.863	C1	C3	H9	119.183
C1	C4	C2	59.412	C1	C4	H8	116.863
C1	C4	H10	119.183	C2	C1	C3	60.294
C2	C1	C4	60.294	C2	C1	H5	130.420
C2	C3	H7	116.863	C2	C3	H9	119.183
C2	C4	H8	116.863	C2	C4	H10	119.183
C3	C1	C4	97.999	C3	C1	H5	130.439
C3	C2	C4	97.999	C3	C2	H6	130.439
C4	C1	H5	130.439	C4	C2	H6	130.439
H7	C3	H9	114.501	H8	C4	H10	114.501

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

using model chemistry: CCD/6-31G(2df,p)

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: CCD/6-31G(2df,p)

States and conformations

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