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	hartrees
Energy at 0K	-155.743566
Energy at 298.15K	-155.749867
HF Energy	-154.925924
Nuclear repulsion energy	116.662731

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3272	3171
2	A₁	3179	3082
3	A₁	3074	2980
4	A₁	1538	1491
5	A₁	1297	1257
6	A₁	1109	1075
7	A₁	872	846
8	A₁	667	647
9	A₁	419	406
10	A₂	1179	1142
11	A₂	1080	1046
12	A₂	928	899
13	A₂	858	832
14	B₁	3257	3157
15	B₁	1170	1134
16	B₁	1141	1106
17	B₁	995	965
18	B₁	753	730
19	B₂	3181	3084
20	B₂	3080	2986
21	B₂	1502	1456
22	B₂	1318	1277
23	B₂	1106	1072
24	B₂	946	917

Atom	x (Å)	y (Å)	z (Å)
C1	0.747	0.000	-0.319
C2	-0.747	0.000	-0.319
C3	0.000	1.130	0.314
C4	0.000	-1.130	0.314
H5	1.420	0.000	-1.155
H6	-1.420	0.000	-1.155
H7	0.000	2.075	-0.214
H8	0.000	-2.075	-0.214
H9	0.000	1.209	1.399
H10	0.000	-1.209	1.399

	C1	C2	C3	C4	H5	H6	H7	H8	H9	H10
C1		1.4942	1.4952	1.4952	1.0732	2.3226	2.2081	2.2081	2.2294	2.2294
C2	1.4942		1.4952	1.4952	2.3226	1.0732	2.2081	2.2081	2.2294	2.2294
C3	1.4952	1.4952		2.2599	2.3348	2.3348	1.0829	3.2484	1.0874	2.5784
C4	1.4952	1.4952	2.2599		2.3348	2.3348	3.2484	1.0829	2.5784	1.0874
H5	1.0732	2.3226	2.3348	2.3348		2.8395	2.6847	2.6847	3.1622	3.1622
H6	2.3226	1.0732	2.3348	2.3348	2.8395		2.6847	2.6847	3.1622	3.1622
H7	2.2081	2.2081	1.0829	3.2484	2.6847	2.6847		4.1505	1.8306	3.6591
H8	2.2081	2.2081	3.2484	1.0829	2.6847	2.6847	4.1505		3.6591	1.8306
H9	2.2294	2.2294	1.0874	2.5784	3.1622	3.1622	1.8306	3.6591		2.4185
H10	2.2294	2.2294	2.5784	1.0874	3.1622	3.1622	3.6591	1.8306	2.4185

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	60.022	C1	C2	C4	60.022
C1	C2	H6	128.809	C1	C3	C2	59.956
C1	C3	H7	116.947	C1	C3	H9	118.510
C1	C4	C2	59.956	C1	C4	H8	116.947
C1	C4	H10	118.510	C2	C1	C3	60.022
C2	C1	C4	60.022	C2	C1	H5	128.809
C2	C3	H7	116.947	C2	C3	H9	118.510
C2	C4	H8	116.947	C2	C4	H10	118.510
C3	C1	C4	98.176	C3	C1	H5	130.019
C3	C2	C4	98.176	C3	C2	H6	130.019
C4	C1	H5	130.019	C4	C2	H6	130.019
H7	C3	H9	115.017	H8	C4	H10	115.017

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

using model chemistry: MP4=FULL/aug-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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All results from a given calculation for C4H6 (Bicyclo[1.1.0]butane)

using model chemistry: MP4=FULL/aug-cc-pVTZ

States and conformations

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