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	hartrees
Energy at 0K	-155.459103
Energy at 298.15K	-155.465483
HF Energy	-154.881776
Nuclear repulsion energy	116.799585

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3357	3137	0.78
2	A₁	3275	3060	24.17
3	A₁	3162	2955	42.66
4	A₁	1592	1487	0.02
5	A₁	1336	1249	1.77
6	A₁	1143	1068	0.00
7	A₁	897	838	0.29
8	A₁	684	639	6.92
9	A₁	427	399	1.36
10	A₂	1231	1151	0.00
11	A₂	1128	1054	0.00
12	A₂	964	901	0.00
13	A₂	895	837	0.00
14	B₁	3345	3125	2.20
15	B₁	1213	1134	18.18
16	B₁	1183	1105	4.71
17	B₁	1037	969	2.68
18	B₁	787	735	67.39
19	B₂	3277	3062	8.52
20	B₂	3168	2960	35.66
21	B₂	1553	1451	0.82
22	B₂	1378	1288	0.04
23	B₂	1152	1077	0.38
24	B₂	985	920	0.43

Atom	x (Å)	y (Å)	z (Å)
C1	0.748	0.000	-0.313
C2	-0.748	0.000	-0.313
C3	0.000	1.130	0.311
C4	0.000	-1.130	0.311
H5	1.414	0.000	-1.156
H6	-1.414	0.000	-1.156
H7	0.000	2.072	-0.223
H8	0.000	-2.072	-0.223
H9	0.000	1.229	1.393
H10	0.000	-1.229	1.393

	C1	C2	C3	C4	H5	H6	H7	H8	H9	H10
C1		1.4951	1.4912	1.4912	1.0740	2.3195	2.2044	2.2044	2.2315	2.2315
C2	1.4951		1.4912	1.4912	2.3195	1.0740	2.2044	2.2044	2.2315	2.2315
C3	1.4912	1.4912		2.2591	2.3290	2.3290	1.0830	3.2456	1.0869	2.5949
C4	1.4912	1.4912	2.2591		2.3290	2.3290	3.2456	1.0830	2.5949	1.0869
H5	1.0740	2.3195	2.3290	2.3290		2.8271	2.6759	2.6759	3.1629	3.1629
H6	2.3195	1.0740	2.3290	2.3290	2.8271		2.6759	2.6759	3.1629	3.1629
H7	2.2044	2.2044	1.0830	3.2456	2.6759	2.6759		4.1437	1.8227	3.6751
H8	2.2044	2.2044	3.2456	1.0830	2.6759	2.6759	4.1437		3.6751	1.8227
H9	2.2315	2.2315	1.0869	2.5949	3.1629	3.1629	1.8227	3.6751		2.4577
H10	2.2315	2.2315	2.5949	1.0869	3.1629	3.1629	3.6751	1.8227	2.4577

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	59.915	C1	C2	C4	59.915
C1	C2	H6	128.325	C1	C3	C2	60.170
C1	C3	H7	116.932	C1	C3	H9	119.062
C1	C4	C2	60.170	C1	C4	H8	116.932
C1	C4	H10	119.062	C2	C1	C3	59.915
C2	C1	C4	59.915	C2	C1	H5	128.325
C2	C3	H7	116.932	C2	C3	H9	119.062
C2	C4	H8	116.932	C2	C4	H10	119.062
C3	C1	C4	98.480	C3	C1	H5	129.719
C3	C2	C4	98.480	C3	C2	H6	129.719
C4	C1	H5	129.719	C4	C2	H6	129.719
H7	C3	H9	114.285	H8	C4	H10	114.285

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

using model chemistry: MP2=FULL/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: MP2=FULL/6-31G**

States and conformations

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