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	hartrees
Energy at 0K	-155.458415
Energy at 298.15K	-155.464642
HF Energy	-154.886263
Nuclear repulsion energy	115.419709

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3299	3164	0.56
2	A₁	3221	3089	21.05
3	A₁	3101	2974	44.42
4	A₁	1519	1456	0.06
5	A₁	1282	1230	3.00
6	A₁	1098	1053	0.26
7	A₁	854	819	0.06
8	A₁	614	589	3.53
9	A₁	396	380	1.44
10	A₂	1175	1127	0.00
11	A₂	1071	1027	0.00
12	A₂	919	881	0.00
13	A₂	866	830	0.00
14	B₁	3286	3151	0.64
15	B₁	1158	1111	6.79
16	B₁	1127	1080	18.80
17	B₁	976	936	3.15
18	B₁	739	709	79.56
19	B₂	3224	3092	7.30
20	B₂	3109	2982	38.05
21	B₂	1481	1420	0.04
22	B₂	1317	1263	0.08
23	B₂	1109	1064	0.30
24	B₂	934	896	0.57

Atom	x (Å)	y (Å)	z (Å)
C1	0.762	0.000	-0.313
C2	-0.762	0.000	-0.313
C3	0.000	1.142	0.313
C4	0.000	-1.142	0.313
H5	1.411	0.000	-1.185
H6	-1.411	0.000	-1.185
H7	0.000	2.094	-0.226
H8	0.000	-2.094	-0.226
H9	0.000	1.229	1.409
H10	0.000	-1.229	1.409

	C1	C2	C3	C4	H5	H6	H7	H8	H9	H10
C1		1.5242	1.5088	1.5088	1.0868	2.3412	2.2303	2.2303	2.2486	2.2486
C2	1.5242		1.5088	1.5088	2.3412	1.0868	2.2303	2.2303	2.2486	2.2486
C3	1.5088	1.5088		2.2831	2.3535	2.3535	1.0950	3.2806	1.0989	2.6113
C4	1.5088	1.5088	2.2831		2.3535	2.3535	3.2806	1.0950	2.6113	1.0989
H5	1.0868	2.3412	2.3535	2.3535		2.8213	2.7010	2.7010	3.1983	3.1983
H6	2.3412	1.0868	2.3535	2.3535	2.8213		2.7010	2.7010	3.1983	3.1983
H7	2.2303	2.2303	1.0950	3.2806	2.7010	2.7010		4.1886	1.8501	3.7037
H8	2.2303	2.2303	3.2806	1.0950	2.7010	2.7010	4.1886		3.7037	1.8501
H9	2.2486	2.2486	1.0989	2.6113	3.1983	3.1983	1.8501	3.7037		2.4578
H10	2.2486	2.2486	2.6113	1.0989	3.1983	3.1983	3.7037	1.8501	2.4578

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	59.662	C1	C2	C4	59.662
C1	C2	H6	126.638	C1	C3	C2	60.675
C1	C3	H7	116.975	C1	C3	H9	118.297
C1	C4	C2	60.675	C1	C4	H8	116.975
C1	C4	H10	118.297	C2	C1	C3	59.662
C2	C1	C4	59.662	C2	C1	H5	126.638
C2	C3	H7	116.975	C2	C3	H9	118.297
C2	C4	H8	116.975	C2	C4	H10	118.297
C3	C1	C4	98.332	C3	C1	H5	129.391
C3	C2	C4	98.332	C3	C2	H6	129.391
C4	C1	H5	129.391	C4	C2	H6	129.391
H7	C3	H9	114.977	H8	C4	H10	114.977

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

using model chemistry: MP2/aug-cc-pVDZ

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/aug-cc-pVDZ

States and conformations

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