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	hartrees
Energy at 0K	-155.787378
Energy at 298.15K	-155.793656
HF Energy	-155.595010
Nuclear repulsion energy	115.824877

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3279	3154	1.67
2	A₁	3199	3077	23.13
3	A₁	3084	2966	54.79
4	A₁	1526	1467	0.06
5	A₁	1292	1242	2.73
6	A₁	1103	1061	0.25
7	A₁	858	826	0.00
8	A₁	663	638	5.07
9	A₁	415	399	1.17
10	A₂	1178	1133	0.00
11	A₂	1074	1033	0.00
12	A₂	917	882	0.00
13	A₂	857	824	0.00
14	B₁	3266	3142	2.56
15	B₁	1163	1118	10.97
16	B₁	1128	1085	14.35
17	B₁	995	957	3.97
18	B₁	740	712	73.60
19	B₂	3202	3080	11.84
20	B₂	3089	2971	45.04
21	B₂	1487	1431	0.02
22	B₂	1317	1267	0.15
23	B₂	1105	1062	0.49
24	B₂	941	906	0.50

Atom	x (Å)	y (Å)	z (Å)
C1	0.753	0.000	-0.316
C2	-0.753	0.000	-0.316
C3	0.000	1.139	0.314
C4	0.000	-1.139	0.314
H5	1.426	0.000	-1.166
H6	-1.426	0.000	-1.166
H7	0.000	2.090	-0.224
H8	0.000	-2.090	-0.224
H9	0.000	1.234	1.406
H10	0.000	-1.234	1.406

	C1	C2	C3	C4	H5	H6	H7	H8	H9	H10
C1		1.5061	1.5041	1.5041	1.0838	2.3385	2.2233	2.2233	2.2487	2.2487
C2	1.5061		1.5041	1.5041	2.3385	1.0838	2.2233	2.2233	2.2487	2.2487
C3	1.5041	1.5041		2.2788	2.3497	2.3497	1.0919	3.2737	1.0963	2.6128
C4	1.5041	1.5041	2.2788		2.3497	2.3497	3.2737	1.0919	2.6128	1.0963
H5	1.0838	2.3385	2.3497	2.3497		2.8512	2.6997	2.6997	3.1893	3.1893
H6	2.3385	1.0838	2.3497	2.3497	2.8512		2.6997	2.6997	3.1893	3.1893
H7	2.2233	2.2233	1.0919	3.2737	2.6997	2.6997		4.1797	1.8406	3.7020
H8	2.2233	2.2233	3.2737	1.0919	2.6997	2.6997	4.1797		3.7020	1.8406
H9	2.2487	2.2487	1.0963	2.6128	3.1893	3.1893	1.8406	3.7020		2.4683
H10	2.2487	2.2487	2.6128	1.0963	3.1893	3.1893	3.7020	1.8406	2.4683

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	59.956	C1	C2	C4	59.956
C1	C2	H6	128.357	C1	C3	C2	60.087
C1	C3	H7	116.949	C1	C3	H9	118.870
C1	C4	C2	60.087	C1	C4	H8	116.949
C1	C4	H10	118.870	C2	C1	C3	59.956
C2	C1	C4	59.956	C2	C1	H5	128.357
C2	C3	H7	116.949	C2	C3	H9	118.870
C2	C4	H8	116.949	C2	C4	H10	118.870
C3	C1	C4	98.493	C3	C1	H5	129.732
C3	C2	C4	98.493	C3	C2	H6	129.732
C4	C1	H5	129.732	C4	C2	H6	129.732
H7	C3	H9	114.529	H8	C4	H10	114.529

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

using model chemistry: B2PLYP=FULL/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: B2PLYP=FULL/aug-cc-pVDZ

States and conformations

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