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	hartrees
Energy at 0K	-155.532057
Energy at 298.15K	-155.538412
HF Energy	-154.918558
Nuclear repulsion energy	116.526196

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3299	3151	1.55
2	A₁	3205	3062	26.77
3	A₁	3105	2966	48.13
4	A₁	1566	1496	0.03
5	A₁	1316	1257	2.77
6	A₁	1130	1080	0.08
7	A₁	874	835	0.00
8	A₁	688	657	4.81
9	A₁	428	409	0.99
10	A₂	1207	1153	0.00
11	A₂	1116	1066	0.00
12	A₂	938	896	0.00
13	A₂	872	833	0.00
14	B₁	3286	3139	2.71
15	B₁	1192	1139	14.58
16	B₁	1175	1123	4.35
17	B₁	1028	982	4.21
18	B₁	760	726	74.63
19	B₂	3206	3063	11.97
20	B₂	3109	2970	39.98
21	B₂	1530	1462	0.34
22	B₂	1341	1281	0.33
23	B₂	1125	1075	0.61
24	B₂	970	927	0.44

Atom	x (Å)	y (Å)	z (Å)
C1	0.747	0.000	-0.320
C2	-0.747	0.000	-0.320
C3	0.000	1.131	0.315
C4	0.000	-1.131	0.315
H5	1.423	0.000	-1.156
H6	-1.423	0.000	-1.156
H7	0.000	2.078	-0.215
H8	0.000	-2.078	-0.215
H9	0.000	1.221	1.400
H10	0.000	-1.221	1.400

	C1	C2	C3	C4	H5	H6	H7	H8	H9	H10
C1		1.4931	1.4964	1.4964	1.0759	2.3254	2.2107	2.2107	2.2372	2.2372
C2	1.4931		1.4964	1.4964	2.3254	1.0759	2.2107	2.2107	2.2372	2.2372
C3	1.4964	1.4964		2.2623	2.3384	2.3384	1.0854	3.2529	1.0889	2.5904
C4	1.4964	1.4964	2.2623		2.3384	2.3384	3.2529	1.0854	2.5904	1.0889
H5	1.0759	2.3254	2.3384	2.3384		2.8464	2.6888	2.6888	3.1701	3.1701
H6	2.3254	1.0759	2.3384	2.3384	2.8464		2.6888	2.6888	3.1701	3.1701
H7	2.2107	2.2107	1.0854	3.2529	2.6888	2.6888		4.1565	1.8287	3.6735
H8	2.2107	2.2107	3.2529	1.0854	2.6888	2.6888	4.1565		3.6735	1.8287
H9	2.2372	2.2372	1.0889	2.5904	3.1701	3.1701	1.8287	3.6735		2.4420
H10	2.2372	2.2372	2.5904	1.0889	3.1701	3.1701	3.6735	1.8287	2.4420

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	60.073	C1	C2	C4	60.073
C1	C2	H6	128.971	C1	C3	C2	59.854
C1	C3	H7	116.906	C1	C3	H9	119.004
C1	C4	C2	59.854	C1	C4	H8	116.906
C1	C4	H10	119.004	C2	C1	C3	60.073
C2	C1	C4	60.073	C2	C1	H5	128.971
C2	C3	H7	116.906	C2	C3	H9	119.004
C2	C4	H8	116.906	C2	C4	H10	119.004
C3	C1	C4	98.209	C3	C1	H5	130.042
C3	C2	C4	98.209	C3	C2	H6	130.042
C4	C1	H5	130.042	C4	C2	H6	130.042
H7	C3	H9	114.504	H8	C4	H10	114.504

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

using model chemistry: QCISD/TZVP

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: QCISD/TZVP

States and conformations

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