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	hartrees
Energy at 0K	-155.950848
Energy at 298.15K	-155.957181
HF Energy	-155.950848
Nuclear repulsion energy	116.824943

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3253	3129	1.51
2	A₁	3169	3047	20.39
3	A₁	3061	2943	55.07
4	A₁	1526	1467	0.18
5	A₁	1308	1258	2.12
6	A₁	1112	1069	0.13
7	A₁	893	859	0.25
8	A₁	701	674	6.97
9	A₁	426	409	1.09
10	A₂	1177	1132	0.00
11	A₂	1078	1036	0.00
12	A₂	930	894	0.00
13	A₂	861	828	0.00
14	B₁	3240	3116	4.38
15	B₁	1172	1127	11.95
16	B₁	1131	1088	15.46
17	B₁	1008	969	4.26
18	B₁	762	732	68.87
19	B₂	3171	3049	12.53
20	B₂	3065	2947	44.97
21	B₂	1485	1428	0.00
22	B₂	1322	1271	0.04
23	B₂	1104	1062	0.83
24	B₂	950	913	0.14

Atom	x (Å)	y (Å)	z (Å)
C1	0.740	0.000	-0.320
C2	-0.740	0.000	-0.320
C3	0.000	1.130	0.314
C4	0.000	-1.130	0.314
H5	1.429	0.000	-1.148
H6	-1.429	0.000	-1.148
H7	0.000	2.077	-0.214
H8	0.000	-2.077	-0.214
H9	0.000	1.219	1.400
H10	0.000	-1.219	1.400

	C1	C2	C3	C4	H5	H6	H7	H8	H9	H10
C1		1.4799	1.4919	1.4919	1.0768	2.3215	2.2076	2.2076	2.2350	2.2350
C2	1.4799		1.4919	1.4919	2.3215	1.0768	2.2076	2.2076	2.2350	2.2350
C3	1.4919	1.4919		2.2590	2.3356	2.3356	1.0851	3.2500	1.0900	2.5878
C4	1.4919	1.4919	2.2590		2.3356	2.3356	3.2500	1.0851	2.5878	1.0900
H5	1.0768	2.3215	2.3356	2.3356		2.8582	2.6886	2.6886	3.1657	3.1657
H6	2.3215	1.0768	2.3356	2.3356	2.8582		2.6886	2.6886	3.1657	3.1657
H7	2.2076	2.2076	1.0851	3.2500	2.6886	2.6886		4.1545	1.8286	3.6708
H8	2.2076	2.2076	3.2500	1.0851	2.6886	2.6886	4.1545		3.6708	1.8286
H9	2.2350	2.2350	1.0900	2.5878	3.1657	3.1657	1.8286	3.6708		2.4385
H10	2.2350	2.2350	2.5878	1.0900	3.1657	3.1657	3.6708	1.8286	2.4385

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	60.266	C1	C2	C4	60.266
C1	C2	H6	129.793	C1	C3	C2	59.467
C1	C3	H7	117.006	C1	C3	H9	119.089
C1	C4	C2	59.467	C1	C4	H8	117.006
C1	C4	H10	119.089	C2	C1	C3	60.266
C2	C1	C4	60.266	C2	C1	H5	129.793
C2	C3	H7	117.006	C2	C3	H9	119.089
C2	C4	H8	117.006	C2	C4	H10	119.089
C3	C1	C4	98.414	C3	C1	H5	130.105
C3	C2	C4	98.414	C3	C2	H6	130.105
C4	C1	H5	130.105	C4	C2	H6	130.105
H7	C3	H9	114.423	H8	C4	H10	114.423

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

using model chemistry: B3PW91/cc-pVTZ

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	-0.094
2	C	-0.094
3	C	-0.200
4	C	-0.200
5	H	0.118
6	H	0.118
7	H	0.086
8	H	0.086
9	H	0.090
10	H	0.090

<r²>	62.165
(<r²>)^1/2	7.884

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

using model chemistry: B3PW91/cc-pVTZ

States and conformations

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