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	hartrees
Energy at 0K	-155.349143
Energy at 298.15K	-155.355617
HF Energy	-154.871554
Nuclear repulsion energy	116.949894

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3373	3115	1.64
2	A₁	3286	3035	25.41
3	A₁	3188	2945	46.45
4	A₁	1624	1500	0.05
5	A₁	1379	1274	1.27
6	A₁	1173	1083	0.00
7	A₁	936	864	0.54
8	A₁	749	692	9.17
9	A₁	454	420	1.31
10	A₂	1257	1161	0.00
11	A₂	1154	1066	0.00
12	A₂	984	909	0.00
13	A₂	916	846	0.00
14	B₁	3359	3103	3.96
15	B₁	1251	1156	17.20
16	B₁	1199	1107	5.07
17	B₁	1076	994	4.07
18	B₁	809	748	71.92
19	B₂	3287	3036	12.78
20	B₂	3191	2947	37.63
21	B₂	1583	1463	0.21
22	B₂	1408	1301	0.18
23	B₂	1165	1076	0.73
24	B₂	1004	927	0.28

Atom	x (Å)	y (Å)	z (Å)
C1	0.739	0.000	-0.320
C2	-0.739	0.000	-0.320
C3	0.000	1.128	0.314
C4	0.000	-1.128	0.314
H5	1.432	0.000	-1.143
H6	-1.432	0.000	-1.143
H7	0.000	2.074	-0.217
H8	0.000	-2.074	-0.217
H9	0.000	1.229	1.397
H10	0.000	-1.229	1.397

	C1	C2	C3	C4	H5	H6	H7	H8	H9	H10
C1		1.4777	1.4900	1.4900	1.0756	2.3213	2.2038	2.2038	2.2372	2.2372
C2	1.4777		1.4900	1.4900	2.3213	1.0756	2.2038	2.2038	2.2372	2.2372
C3	1.4900	1.4900		2.2563	2.3332	2.3332	1.0841	3.2455	1.0880	2.5943
C4	1.4900	1.4900	2.2563		2.3332	2.3332	3.2455	1.0841	2.5943	1.0880
H5	1.0756	2.3213	2.3332	2.3332		2.8635	2.6848	2.6848	3.1641	3.1641
H6	2.3213	1.0756	2.3332	2.3332	2.8635		2.6848	2.6848	3.1641	3.1641
H7	2.2038	2.2038	1.0841	3.2455	2.6848	2.6848		4.1474	1.8213	3.6760
H8	2.2038	2.2038	3.2455	1.0841	2.6848	2.6848	4.1474		3.6760	1.8213
H9	2.2372	2.2372	1.0880	2.5943	3.1641	3.1641	1.8213	3.6760		2.4583
H10	2.2372	2.2372	2.5943	1.0880	3.1641	3.1641	3.6760	1.8213	2.4583

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	60.274	C1	C2	C4	60.274
C1	C2	H6	130.106	C1	C3	C2	59.453
C1	C3	H7	116.890	C1	C3	H9	119.591
C1	C4	C2	59.453	C1	C4	H8	116.890
C1	C4	H10	119.591	C2	C1	C3	60.274
C2	C1	C4	60.274	C2	C1	H5	130.106
C2	C3	H7	116.890	C2	C3	H9	119.591
C2	C4	H8	116.890	C2	C4	H10	119.591
C3	C1	C4	98.420	C3	C1	H5	130.147
C3	C2	C4	98.420	C3	C2	H6	130.147
C4	C1	H5	130.147	C4	C2	H6	130.147
H7	C3	H9	113.958	H8	C4	H10	113.958

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

using model chemistry: CID/6-31G*

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: CID/6-31G*

States and conformations

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