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	hartrees
Energy at 0K	-155.645782
Energy at 298.15K	-155.652052
HF Energy	-154.953252
Nuclear repulsion energy	113.269596

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3240	3050	18.10
2	A₁	3081	2900	42.49
3	A₁	1646	1549	1.01
4	A₁	1513	1424	0.14
5	A₁	1243	1170	1.50
6	A₁	1151	1084	0.08
7	A₁	1016	956	0.04
8	A₁	911	858	1.07
9	A₂	3117	2934	0.00
10	A₂	1194	1123	0.00
11	A₂	1048	986	0.00
12	A₂	944	889	0.00
13	A₂	312	294	0.00
14	B₁	3132	2948	47.38
15	B₁	1116	1051	6.51
16	B₁	878	827	17.61
17	B₁	659	621	41.30
18	B₂	3208	3019	13.00
19	B₂	3074	2894	41.18
20	B₂	1489	1401	0.30
21	B₂	1345	1266	11.92
22	B₂	1255	1181	2.54
23	B₂	915	861	12.62
24	B₂	869	818	0.50

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.670	0.814
C2	0.000	-0.670	0.814
C3	0.000	0.783	-0.700
C4	0.000	-0.783	-0.700
H5	0.000	1.414	1.598
H6	0.000	-1.414	1.598
H7	0.887	1.239	-1.141
H8	-0.887	-1.239	-1.141
H9	-0.887	1.239	-1.141
H10	0.887	-1.239	-1.141

	C1	C2	C3	C4	H5	H6	H7	H8	H9	H10
C1		1.3400	1.5178	2.0981	1.0806	2.2262	2.2207	2.8725	2.2207	2.8725
C2	1.3400		2.0981	1.5178	2.2262	1.0806	2.8725	2.2207	2.8725	2.2207
C3	1.5178	2.0981		1.5658	2.3826	3.1786	1.0904	2.2514	1.0904	2.2514
C4	2.0981	1.5178	1.5658		3.1786	2.3826	2.2514	1.0904	2.2514	1.0904
H5	1.0806	2.2262	2.3826	3.1786		2.8272	2.8841	3.9145	2.8841	3.9145
H6	2.2262	1.0806	3.1786	2.3826	2.8272		3.9145	2.8841	3.9145	2.8841
H7	2.2207	2.8725	1.0904	2.2514	2.8841	3.9145		3.0470	1.7734	2.4778
H8	2.8725	2.2207	2.2514	1.0904	3.9145	2.8841	3.0470		2.4778	1.7734
H9	2.2207	2.8725	1.0904	2.2514	2.8841	3.9145	1.7734	2.4778		3.0470
H10	2.8725	2.2207	2.2514	1.0904	3.9145	2.8841	2.4778	1.7734	3.0470

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	94.267	C1	C2	H6	133.486
C1	C3	C4	85.733	C1	C3	H7	115.763
C1	C3	H9	115.763	C2	C1	C3	94.267
C2	C1	H5	133.486	C2	C4	C3	85.733
C2	C4	H8	115.763	C2	C4	H10	115.763
C3	C1	H5	132.247	C3	C4	H8	114.721
C3	C4	H10	114.721	C4	C2	H6	132.247
C4	C3	H7	114.721	C4	C3	H9	114.721
H7	C3	H9	108.827	H8	C4	H10	108.827

All results from a given calculation for C₄H₆ (Cyclobutene)

using model chemistry: CCSD/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 (Cyclobutene)

using model chemistry: CCSD/cc-pVTZ

States and conformations

All results from a given calculation for C₄H₆ (Cyclobutene)