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	hartrees
Energy at 0K	-154.891350
Energy at 298.15K	-154.897919
HF Energy	-154.891350
Nuclear repulsion energy	117.307790

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3406	3084	2.71
2	A₁	3309	2996	29.92
3	A₁	3212	2909	57.61
4	A₁	1661	1504	0.00
5	A₁	1403	1270	1.36
6	A₁	1199	1085	0.02
7	A₁	958	867	0.56
8	A₁	799	724	8.23
9	A₁	472	428	0.89
10	A₂	1288	1167	0.00
11	A₂	1191	1079	0.00
12	A₂	1001	906	0.00
13	A₂	921	834	0.00
14	B₁	3391	3070	6.80
15	B₁	1290	1168	14.32
16	B₁	1235	1118	2.50
17	B₁	1124	1017	4.28
18	B₁	815	738	68.98
19	B₂	3309	2997	19.97
20	B₂	3213	2909	51.60
21	B₂	1619	1466	0.54
22	B₂	1428	1293	0.88
23	B₂	1178	1067	1.02
24	B₂	1021	925	0.84

Atom	x (Å)	y (Å)	z (Å)
C1	0.732	0.000	-0.327
C2	-0.732	0.000	-0.327
C3	0.000	1.125	0.317
C4	0.000	-1.125	0.317
H5	1.444	0.000	-1.124
H6	-1.444	0.000	-1.124
H7	0.000	2.068	-0.207
H8	0.000	-2.068	-0.207
H9	0.000	1.220	1.395
H10	0.000	-1.220	1.395

	C1	C2	C3	C4	H5	H6	H7	H8	H9	H10
C1		1.4639	1.4887	1.4887	1.0688	2.3175	2.1971	2.1971	2.2334	2.2334
C2	1.4639		1.4887	1.4887	2.3175	1.0688	2.1971	2.1971	2.2334	2.2334
C3	1.4887	1.4887		2.2503	2.3296	2.3296	1.0784	3.2358	1.0822	2.5808
C4	1.4887	1.4887	2.2503		2.3296	2.3296	3.2358	1.0784	2.5808	1.0822
H5	1.0688	2.3175	2.3296	2.3296		2.8886	2.6840	2.6840	3.1492	3.1492
H6	2.3175	1.0688	2.3296	2.3296	2.8886		2.6840	2.6840	3.1492	3.1492
H7	2.1971	2.1971	1.0784	3.2358	2.6840	2.6840		4.1361	1.8123	3.6570
H8	2.1971	2.1971	3.2358	1.0784	2.6840	2.6840	4.1361		3.6570	1.8123
H9	2.2334	2.2334	1.0822	2.5808	3.1492	3.1492	1.8123	3.6570		2.4393
H10	2.2334	2.2334	2.5808	1.0822	3.1492	3.1492	3.6570	1.8123	2.4393

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	60.549	C1	C2	C4	60.549
C1	C2	H6	131.796	C1	C3	C2	58.903
C1	C3	H7	116.804	C1	C3	H9	119.789
C1	C4	C2	58.903	C1	C4	H8	116.804
C1	C4	H10	119.789	C2	C1	C3	60.549
C2	C1	C4	60.549	C2	C1	H5	131.796
C2	C3	H7	116.804	C2	C3	H9	119.789
C2	C4	H8	116.804	C2	C4	H10	119.789
C3	C1	C4	98.190	C3	C1	H5	130.549
C3	C2	C4	98.190	C3	C2	H6	130.549
C4	C1	H5	130.549	C4	C2	H6	130.549
H7	C3	H9	114.023	H8	C4	H10	114.023

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

using model chemistry: HF/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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Number	Element	Mulliken
1	C	-0.142
2	C	-0.142
3	C	-0.282
4	C	-0.282
5	H	0.156
6	H	0.156
7	H	0.138
8	H	0.138
9	H	0.130
10	H	0.130

<r²>	61.765
(<r²>)^1/2	7.859

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

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

States and conformations

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