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	hartrees
Energy at 0K	-155.501596
Energy at 298.15K	-155.507853
HF Energy	-154.895444
Nuclear repulsion energy	115.670992

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3239	3119
2	A₁	3158	3040
3	A₁	3056	2943
4	A₁	1545	1488
5	A₁	1291	1243
6	A₁	1109	1068
7	A₁	857	825
8	A₁	636	612
9	A₁	407	392
10	A₂	1192	1148
11	A₂	1089	1048
12	A₂	927	893
13	A₂	871	839
14	B₁	3226	3106
15	B₁	1176	1133
16	B₁	1142	1100
17	B₁	997	960
18	B₁	749	721
19	B₂	3159	3042
20	B₂	3061	2947
21	B₂	1509	1453
22	B₂	1327	1278
23	B₂	1112	1071
24	B₂	951	916

Atom	x (Å)	y (Å)	z (Å)
C1	0.757	0.000	-0.313
C2	-0.757	0.000	-0.313
C3	0.000	1.141	0.313
C4	0.000	-1.141	0.313
H5	1.414	0.000	-1.174
H6	-1.414	0.000	-1.174
H7	0.000	2.089	-0.229
H8	0.000	-2.089	-0.229
H9	0.000	1.246	1.403
H10	0.000	-1.246	1.403

	C1	C2	C3	C4	H5	H6	H7	H8	H9	H10
C1		1.5148	1.5058	1.5058	1.0833	2.3364	2.2238	2.2238	2.2521	2.2521
C2	1.5148		1.5058	1.5058	2.3364	1.0833	2.2238	2.2238	2.2521	2.2521
C3	1.5058	1.5058		2.2826	2.3482	2.3482	1.0919	3.2757	1.0957	2.6249
C4	1.5058	1.5058	2.2826		2.3482	2.3482	3.2757	1.0919	2.6249	1.0957
H5	1.0833	2.3364	2.3482	2.3482		2.8289	2.6941	2.6941	3.1933	3.1933
H6	2.3364	1.0833	2.3482	2.3482	2.8289		2.6941	2.6941	3.1933	3.1933
H7	2.2238	2.2238	1.0919	3.2757	2.6941	2.6941		4.1784	1.8374	3.7137
H8	2.2238	2.2238	3.2757	1.0919	2.6941	2.6941	4.1784		3.7137	1.8374
H9	2.2521	2.2521	1.0957	2.6249	3.1933	3.1933	1.8374	3.7137		2.4926
H10	2.2521	2.2521	2.6249	1.0957	3.1933	3.1933	3.7137	1.8374	2.4926

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	59.803	C1	C2	C4	59.803
C1	C2	H6	127.339	C1	C3	C2	60.395
C1	C3	H7	116.858	C1	C3	H9	119.084
C1	C4	C2	60.395	C1	C4	H8	116.858
C1	C4	H10	119.084	C2	C1	C3	59.803
C2	C1	C4	59.803	C2	C1	H5	127.339
C2	C3	H7	116.858	C2	C3	H9	119.084
C2	C4	H8	116.858	C2	C4	H10	119.084
C3	C1	C4	98.566	C3	C1	H5	129.444
C3	C2	C4	98.566	C3	C2	H6	129.444
C4	C1	H5	129.444	C4	C2	H6	129.444
H7	C3	H9	114.263	H8	C4	H10	114.263

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

using model chemistry: QCISD(T)/6-311G*

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: QCISD(T)/6-311G*

States and conformations

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