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	hartrees
Energy at 0K	-155.621539
Energy at 298.15K	-155.616866
HF Energy	-154.869256
Nuclear repulsion energy	117.019750

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3421	3421	3.99
2	A₁	3329	3329	32.46
3	A₁	3232	3232	63.25
4	A₁	1672	1672	0.00
5	A₁	1410	1410	1.29
6	A₁	1202	1202	0.00
7	A₁	952	952	0.58
8	A₁	786	786	8.83
9	A₁	468	468	1.10
10	A₂	1293	1293	0.00
11	A₂	1190	1190	0.00
12	A₂	1001	1001	0.00
13	A₂	930	930	0.00
14	B₁	3406	3406	9.19
15	B₁	1294	1294	13.97
16	B₁	1235	1235	3.15
17	B₁	1120	1120	4.31
18	B₁	817	817	76.95
19	B₂	3330	3330	22.92
20	B₂	3232	3232	53.49
21	B₂	1631	1631	0.84
22	B₂	1437	1437	0.94
23	B₂	1185	1185	0.79
24	B₂	1024	1024	0.97

Atom	x (Å)	y (Å)	z (Å)
C1	0.735	0.000	-0.324
C2	-0.735	0.000	-0.324
C3	0.000	1.129	0.315
C4	0.000	-1.129	0.315
H5	1.439	0.000	-1.133
H6	-1.439	0.000	-1.133
H7	0.000	2.072	-0.213
H8	0.000	-2.072	-0.213
H9	0.000	1.230	1.396
H10	0.000	-1.230	1.396

	C1	C2	C3	C4	H5	H6	H7	H8	H9	H10
C1		1.4709	1.4911	1.4911	1.0726	2.3203	2.2018	2.2018	2.2383	2.2383
C2	1.4709		1.4911	1.4911	2.3203	1.0726	2.2018	2.2018	2.2383	2.2383
C3	1.4911	1.4911		2.2577	2.3331	2.3331	1.0813	3.2445	1.0853	2.5946
C4	1.4911	1.4911	2.2577		2.3331	2.3331	3.2445	1.0813	2.5946	1.0853
H5	1.0726	2.3203	2.3331	2.3331		2.8779	2.6856	2.6856	3.1591	3.1591
H6	2.3203	1.0726	2.3331	2.3331	2.8779		2.6856	2.6856	3.1591	3.1591
H7	2.2018	2.2018	1.0813	3.2445	2.6856	2.6856		4.1448	1.8159	3.6735
H8	2.2018	2.2018	3.2445	1.0813	2.6856	2.6856	4.1448		3.6735	1.8159
H9	2.2383	2.2383	1.0853	2.5946	3.1591	3.1591	1.8159	3.6735		2.4602
H10	2.2383	2.2383	2.5946	1.0853	3.1591	3.1591	3.6735	1.8159	2.4602

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	60.445	C1	C2	C4	60.445
C1	C2	H6	130.981	C1	C3	C2	59.109
C1	C3	H7	116.828	C1	C3	H9	119.813
C1	C4	C2	59.109	C1	C4	H8	116.828
C1	C4	H10	119.813	C2	C1	C3	60.445
C2	C1	C4	60.445	C2	C1	H5	130.981
C2	C3	H7	116.828	C2	C3	H9	119.813
C2	C4	H8	116.828	C2	C4	H10	119.813
C3	C1	C4	98.413	C3	C1	H5	130.309
C3	C2	C4	98.413	C3	C2	H6	130.309
C4	C1	H5	130.309	C4	C2	H6	130.309
H7	C3	H9	113.890	H8	C4	H10	113.890

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

using model chemistry: CBS-Q

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: CBS-Q

States and conformations

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