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	hartrees
Energy at 0K	-155.612692
Energy at 298.15K	-155.618994
HF Energy	-154.918293
Nuclear repulsion energy	113.415291

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3278	3087	16.35
2	A₁	3115	2933	34.77
3	A₁	1656	1559	0.58
4	A₁	1533	1444	0.00
5	A₁	1258	1184	1.26
6	A₁	1161	1093	0.04
7	A₁	1031	971	0.03
8	A₁	934	880	0.97
9	A₂	3157	2973	0.00
10	A₂	1221	1150	0.00
11	A₂	1065	1003	0.00
12	A₂	959	903	0.00
13	A₂	318	300	0.00
14	B₁	3171	2986	40.72
15	B₁	1138	1072	4.74
16	B₁	894	842	13.67
17	B₁	670	631	35.22
18	B₂	3246	3056	10.43
19	B₂	3109	2927	34.67
20	B₂	1512	1423	0.02
21	B₂	1352	1273	11.71
22	B₂	1265	1191	1.50
23	B₂	931	877	11.55
24	B₂	878	826	1.10

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.669	0.813
C2	0.000	-0.669	0.813
C3	0.000	0.781	-0.698
C4	0.000	-0.781	-0.698
H5	0.000	1.415	1.594
H6	0.000	-1.415	1.594
H7	0.887	1.237	-1.139
H8	-0.887	-1.237	-1.139
H9	-0.887	1.237	-1.139
H10	0.887	-1.237	-1.139

	C1	C2	C3	C4	H5	H6	H7	H8	H9	H10
C1		1.3382	1.5152	2.0944	1.0803	2.2255	2.2181	2.8689	2.2181	2.8689
C2	1.3382		2.0944	1.5152	2.2255	1.0803	2.8689	2.2181	2.8689	2.2181
C3	1.5152	2.0944		1.5622	2.3788	3.1747	1.0906	2.2481	1.0906	2.2481
C4	2.0944	1.5152	1.5622		3.1747	2.3788	2.2481	1.0906	2.2481	1.0906
H5	1.0803	2.2255	2.3788	3.1747		2.8291	2.8797	3.9104	2.8797	3.9104
H6	2.2255	1.0803	3.1747	2.3788	2.8291		3.9104	2.8797	3.9104	2.8797
H7	2.2181	2.8689	1.0906	2.2481	2.8797	3.9104		3.0445	1.7747	2.4738
H8	2.8689	2.2181	2.2481	1.0906	3.9104	2.8797	3.0445		2.4738	1.7747
H9	2.2181	2.8689	1.0906	2.2481	2.8797	3.9104	1.7747	2.4738		3.0445
H10	2.8689	2.2181	2.2481	1.0906	3.9104	2.8797	2.4738	1.7747	3.0445

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	94.240	C1	C2	H6	133.634
C1	C3	C4	85.760	C1	C3	H7	115.726
C1	C3	H9	115.726	C2	C1	C3	94.240
C2	C1	H5	133.634	C2	C4	C3	85.760
C2	C4	H8	115.726	C2	C4	H10	115.726
C3	C1	H5	132.126	C3	C4	H8	114.701
C3	C4	H10	114.701	C4	C2	H6	132.126
C4	C3	H7	114.701	C4	C3	H9	114.701
H7	C3	H9	108.897	H8	C4	H10	108.897

All results from a given calculation for C₄H₆ (Cyclobutene)

using model chemistry: CCSD=FULL/6-31G(2df,p)

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: CCSD=FULL/6-31G(2df,p)

States and conformations

All results from a given calculation for C₄H₆ (Cyclobutene)