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	hartrees
Energy at 0K	-155.182146
Energy at 298.15K	-155.188519
HF Energy	-154.787326
Nuclear repulsion energy	114.643113

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3308	3308	2.56
2	A₁	3204	3204	33.44
3	A₁	3110	3110	41.90
4	A₁	1584	1584	0.33
5	A₁	1287	1287	1.42
6	A₁	1131	1131	0.00
7	A₁	835	835	0.40
8	A₁	755	755	11.54
9	A₁	435	435	1.72
10	A₂	1235	1235	0.00
11	A₂	1161	1161	0.00
12	A₂	962	962	0.00
13	A₂	852	852	0.00
14	B₁	3293	3293	2.38
15	B₁	1222	1222	28.13
16	B₁	1175	1175	0.47
17	B₁	1052	1052	3.38
18	B₁	761	761	63.67
19	B₂	3204	3204	11.85
20	B₂	3114	3114	32.12
21	B₂	1556	1556	0.00
22	B₂	1340	1340	0.32
23	B₂	1104	1104	1.28
24	B₂	989	989	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.763	0.000	-0.325
C2	-0.763	0.000	-0.325
C3	0.000	1.153	0.317
C4	0.000	-1.153	0.317
H5	1.473	0.000	-1.140
H6	-1.473	0.000	-1.140
H7	0.000	2.104	-0.219
H8	0.000	-2.104	-0.219
H9	0.000	1.261	1.406
H10	0.000	-1.261	1.406

	C1	C2	C3	C4	H5	H6	H7	H8	H9	H10
C1		1.5260	1.5245	1.5245	1.0806	2.3797	2.2403	2.2403	2.2732	2.2732
C2	1.5260		1.5245	1.5245	2.3797	1.0806	2.2403	2.2403	2.2732	2.2732
C3	1.5245	1.5245		2.3062	2.3710	2.3710	1.0915	3.3007	1.0940	2.6479
C4	1.5245	1.5245	2.3062		2.3710	2.3710	3.3007	1.0915	2.6479	1.0940
H5	1.0806	2.3797	2.3710	2.3710		2.9456	2.7281	2.7281	3.1999	3.1999
H6	2.3797	1.0806	2.3710	2.3710	2.9456		2.7281	2.7281	3.1999	3.1999
H7	2.2403	2.2403	1.0915	3.3007	2.7281	2.7281		4.2074	1.8308	3.7362
H8	2.2403	2.2403	3.3007	1.0915	2.7281	2.7281	4.2074		3.7362	1.8308
H9	2.2732	2.2732	1.0940	2.6479	3.1999	3.1999	1.8308	3.7362		2.5211
H10	2.2732	2.2732	2.6479	1.0940	3.1999	3.1999	3.7362	1.8308	2.5211

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	59.968	C1	C2	C4	59.968
C1	C2	H6	131.058	C1	C3	C2	60.064
C1	C3	H7	116.855	C1	C3	H9	119.572
C1	C4	C2	60.064	C1	C4	H8	116.855
C1	C4	H10	119.572	C2	C1	C3	59.968
C2	C1	C4	59.968	C2	C1	H5	131.058
C2	C3	H7	116.855	C2	C3	H9	119.572
C2	C4	H8	116.855	C2	C4	H10	119.572
C3	C1	C4	98.287	C3	C1	H5	130.268
C3	C2	C4	98.287	C3	C2	H6	130.268
C4	C1	H5	130.268	C4	C2	H6	130.268
H7	C3	H9	113.795	H8	C4	H10	113.795

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

using model chemistry: MP3=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: MP3=FULL/6-31G

States and conformations

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