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	hartrees
Energy at 0K	-155.185861
Energy at 298.15K	-155.192056
HF Energy	-154.842397
Nuclear repulsion energy	110.528530

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3236	3117	31.90
2	A₁	3061	2948	48.90
3	A₁	1550	1492	0.57
4	A₁	1519	1463	2.46
5	A₁	1238	1192	3.13
6	A₁	1124	1082	0.25
7	A₁	1001	965	0.29
8	A₁	862	830	3.08
9	A₂	3120	3005	0.00
10	A₂	1167	1124	0.00
11	A₂	1053	1014	0.00
12	A₂	892	860	0.00
13	A₂	306	295	0.00
14	B₁	3136	3020	75.26
15	B₁	1103	1062	8.24
16	B₁	884	852	12.94
17	B₁	686	661	78.40
18	B₂	3191	3073	17.65
19	B₂	3053	2941	48.64
20	B₂	1511	1455	1.56
21	B₂	1311	1263	9.41
22	B₂	1243	1197	7.37
23	B₂	887	854	14.72
24	B₂	857	826	0.95

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.691	0.836
C2	0.000	-0.691	0.836
C3	0.000	0.808	-0.719
C4	0.000	-0.808	-0.719
H5	0.000	1.445	1.627
H6	0.000	-1.445	1.627
H7	0.903	1.262	-1.164
H8	-0.903	-1.262	-1.164
H9	-0.903	1.262	-1.164
H10	0.903	-1.262	-1.164

	C1	C2	C3	C4	H5	H6	H7	H8	H9	H10
C1		1.3816	1.5601	2.1600	1.0927	2.2772	2.2679	2.9380	2.2679	2.9380
C2	1.3816		2.1600	1.5601	2.2772	1.0927	2.9380	2.2679	2.9380	2.2679
C3	1.5601	2.1600		1.6153	2.4316	3.2526	1.1044	2.3018	1.1044	2.3018
C4	2.1600	1.5601	1.6153		3.2526	2.4316	2.3018	1.1044	2.3018	1.1044
H5	1.0927	2.2772	2.4316	3.2526		2.8893	2.9394	3.9919	2.9394	3.9919
H6	2.2772	1.0927	3.2526	2.4316	2.8893		3.9919	2.9394	3.9919	2.9394
H7	2.2679	2.9380	1.1044	2.3018	2.9394	3.9919		3.1041	1.8055	2.5250
H8	2.9380	2.2679	2.3018	1.1044	3.9919	2.9394	3.1041		2.5250	1.8055
H9	2.2679	2.9380	1.1044	2.3018	2.9394	3.9919	1.8055	2.5250		3.1041
H10	2.9380	2.2679	2.3018	1.1044	3.9919	2.9394	2.5250	1.8055	3.1041

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	94.295	C1	C2	H6	133.624
C1	C3	C4	85.705	C1	C3	H7	115.621
C1	C3	H9	115.621	C2	C1	C3	94.295
C2	C1	H5	133.624	C2	C4	C3	85.705
C2	C4	H8	115.621	C2	C4	H10	115.621
C3	C1	H5	132.081	C3	C4	H8	114.322
C3	C4	H10	114.322	C4	C2	H6	132.081
C4	C3	H7	114.322	C4	C3	H9	114.322
H7	C3	H9	109.659	H8	C4	H10	109.659

All results from a given calculation for C₄H₆ (Cyclobutene)

using model chemistry: MP2/LANL2DZ

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 (Cyclobutene)

using model chemistry: MP2/LANL2DZ

States and conformations

All results from a given calculation for C₄H₆ (Cyclobutene)