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	hartrees
Energy at 0K	-155.687536
Energy at 298.15K	-155.693788
HF Energy	-155.687536
Nuclear repulsion energy	114.849197

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3232	3188	3.87
2	A₁	3137	3094	28.33
3	A₁	3030	2988	53.62
4	A₁	1516	1495	0.87
5	A₁	1269	1251	1.33
6	A₁	1097	1082	0.02
7	A₁	836	825	0.13
8	A₁	704	695	13.31
9	A₁	416	411	2.10
10	A₂	1162	1146	0.00
11	A₂	1086	1071	0.00
12	A₂	922	909	0.00
13	A₂	826	815	0.00
14	B₁	3214	3170	4.27
15	B₁	1145	1129	31.10
16	B₁	1133	1117	3.49
17	B₁	991	978	2.61
18	B₁	747	737	60.10
19	B₂	3139	3095	13.47
20	B₂	3032	2990	38.85
21	B₂	1485	1464	0.09
22	B₂	1287	1269	0.05
23	B₂	1082	1067	1.33
24	B₂	947	934	0.13

Atom	x (Å)	y (Å)	z (Å)
C1	0.760	0.000	-0.325
C2	-0.760	0.000	-0.325
C3	0.000	1.149	0.316
C4	0.000	-1.149	0.316
H5	1.472	0.000	-1.144
H6	-1.472	0.000	-1.144
H7	0.000	2.106	-0.217
H8	0.000	-2.106	-0.217
H9	0.000	1.249	1.412
H10	0.000	-1.249	1.412

	C1	C2	C3	C4	H5	H6	H7	H8	H9	H10
C1		1.5190	1.5191	1.5191	1.0857	2.3774	2.2412	2.2412	2.2696	2.2696
C2	1.5190		1.5191	1.5191	2.3774	1.0857	2.2412	2.2412	2.2696	2.2696
C3	1.5191	1.5191		2.2978	2.3705	2.3705	1.0956	3.2982	1.0998	2.6360
C4	1.5191	1.5191	2.2978		2.3705	2.3705	3.2982	1.0956	2.6360	1.0998
H5	1.0857	2.3774	2.3705	2.3705		2.9448	2.7313	2.7313	3.2025	3.2025
H6	2.3774	1.0857	2.3705	2.3705	2.9448		2.7313	2.7313	3.2025	3.2025
H7	2.2412	2.2412	1.0956	3.2982	2.7313	2.7313		4.2116	1.8407	3.7292
H8	2.2412	2.2412	3.2982	1.0956	2.7313	2.7313	4.2116		3.7292	1.8407
H9	2.2696	2.2696	1.0998	2.6360	3.2025	3.2025	1.8407	3.7292		2.4975
H10	2.2696	2.2696	2.6360	1.0998	3.2025	3.2025	3.7292	1.8407	2.4975

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	60.002	C1	C2	C4	60.002
C1	C2	H6	131.041	C1	C3	C2	59.996
C1	C3	H7	117.065	C1	C3	H9	119.266
C1	C4	C2	59.996	C1	C4	H8	117.065
C1	C4	H10	119.266	C2	C1	C3	60.002
C2	C1	C4	60.002	C2	C1	H5	131.041
C2	C3	H7	117.065	C2	C3	H9	119.266
C2	C4	H8	117.065	C2	C4	H10	119.266
C3	C1	C4	98.278	C3	C1	H5	130.280
C3	C2	C4	98.278	C3	C2	H6	130.280
C4	C1	H5	130.280	C4	C2	H6	130.280
H7	C3	H9	113.940	H8	C4	H10	113.940

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

using model chemistry: PBEPBE/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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Number	Element	Mulliken
1	C	-0.125
2	C	-0.125
3	C	-0.324
4	C	-0.324
5	H	0.150
6	H	0.150
7	H	0.152
8	H	0.152
9	H	0.147
10	H	0.147

<r²>	63.720
(<r²>)^1/2	7.982

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

using model chemistry: PBEPBE/6-31G

States and conformations

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