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	hartrees
Energy at 0K	-155.885544
Energy at 298.15K	-155.891897
HF Energy	-155.885544
Nuclear repulsion energy	116.866741

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3294	3151	1.33
2	A₁	3205	3066	22.56
3	A₁	3092	2958	56.22
4	A₁	1544	1477	0.26
5	A₁	1330	1273	2.39
6	A₁	1118	1070	0.08
7	A₁	908	868	0.09
8	A₁	709	678	8.71
9	A₁	433	414	1.22
10	A₂	1185	1133	0.00
11	A₂	1086	1039	0.00
12	A₂	942	902	0.00
13	A₂	876	838	0.00
14	B₁	3280	3138	4.25
15	B₁	1185	1134	12.64
16	B₁	1138	1089	15.88
17	B₁	1012	968	4.01
18	B₁	782	748	76.25
19	B₂	3208	3069	14.74
20	B₂	3098	2963	42.90
21	B₂	1499	1434	0.02
22	B₂	1343	1284	0.09
23	B₂	1116	1067	1.19
24	B₂	956	914	0.02

Atom	x (Å)	y (Å)	z (Å)
C1	0.740	0.000	-0.323
C2	-0.740	0.000	-0.323
C3	0.000	1.126	0.315
C4	0.000	-1.126	0.315
H5	1.434	0.000	-1.148
H6	-1.434	0.000	-1.148
H7	0.000	2.078	-0.208
H8	0.000	-2.078	-0.208
H9	0.000	1.211	1.403
H10	0.000	-1.211	1.403

	C1	C2	C3	C4	H5	H6	H7	H8	H9	H10
C1		1.4806	1.4908	1.4908	1.0780	2.3257	2.2088	2.2088	2.2342	2.2342
C2	1.4806		1.4908	1.4908	2.3257	1.0780	2.2088	2.2088	2.2342	2.2342
C3	1.4908	1.4908		2.2519	2.3375	2.3375	1.0863	3.2463	1.0913	2.5777
C4	1.4908	1.4908	2.2519		2.3375	2.3375	3.2463	1.0863	2.5777	1.0913
H5	1.0780	2.3257	2.3375	2.3375		2.8683	2.6938	2.6938	3.1667	3.1667
H6	2.3257	1.0780	2.3375	2.3375	2.8683		2.6938	2.6938	3.1667	3.1667
H7	2.2088	2.2088	1.0863	3.2463	2.6938	2.6938		4.1559	1.8298	3.6623
H8	2.2088	2.2088	3.2463	1.0863	2.6938	2.6938	4.1559		3.6623	1.8298
H9	2.2342	2.2342	1.0913	2.5777	3.1667	3.1667	1.8298	3.6623		2.4217
H10	2.2342	2.2342	2.5777	1.0913	3.1667	3.1667	3.6623	1.8298	2.4217

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	60.225	C1	C2	C4	60.225
C1	C2	H6	130.067	C1	C3	C2	59.550
C1	C3	H7	117.117	C1	C3	H9	119.024
C1	C4	C2	59.550	C1	C4	H8	117.117
C1	C4	H10	119.024	C2	C1	C3	60.225
C2	C1	C4	60.225	C2	C1	H5	130.067
C2	C3	H7	117.117	C2	C3	H9	119.024
C2	C4	H8	117.117	C2	C4	H10	119.024
C3	C1	C4	98.101	C3	C1	H5	130.314
C3	C2	C4	98.101	C3	C2	H6	130.314
C4	C1	H5	130.314	C4	C2	H6	130.314
H7	C3	H9	114.338	H8	C4	H10	114.338

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

using model chemistry: B1B95/6-31+G**

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	-0.426
4	C	-0.426
5	H	0.155
6	H	0.155
7	H	0.152
8	H	0.152
9	H	0.147
10	H	0.147

<r²>	62.182
(<r²>)^1/2	7.886

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

using model chemistry: B1B95/6-31+G**

States and conformations

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