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	hartrees
Energy at 0K	-156.738795
Energy at 298.15K	-156.747988
HF Energy	-156.106280
Nuclear repulsion energy	126.454862

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3135	3135	0.00
2	A₁	3093	3093	0.00
3	A₁	1527	1527	0.00
4	A₁	1184	1184	0.00
5	A₁	1045	1045	0.00
6	A₁	233	233	0.00
7	A₂	1259	1259	0.00
8	A₂	963	963	0.00
9	B₁	1274	1274	0.00
10	B₁	1175	1175	0.00
11	B₁	960	960	0.00
12	B₂	3161	3161	88.80
13	B₂	3082	3082	16.77
14	B₂	1487	1487	4.05
15	B₂	917	917	0.08
16	B₂	628	628	1.92
17	E	3145	3145	23.43
17	E	3145	3145	23.43
18	E	3085	3085	65.10
18	E	3085	3085	65.10
19	E	1482	1482	0.24
19	E	1482	1482	0.24
20	E	1306	1306	0.38
20	E	1306	1306	0.38
21	E	1256	1256	0.11
21	E	1256	1256	0.11
22	E	931	931	1.85
22	E	931	931	1.85
23	E	759	759	0.20
23	E	759	759	0.20

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	1.081	0.145
C2	0.000	-1.081	0.145
C3	-1.081	0.000	-0.145
C4	1.081	0.000	-0.145
H5	0.000	1.363	1.213
H6	0.000	1.999	-0.465
H7	0.000	-1.363	1.213
H8	0.000	-1.999	-0.465
H9	-1.363	0.000	-1.213
H10	-1.999	0.000	0.465
H11	1.363	0.000	-1.213
H12	1.999	0.000	0.465

	C1	C2	C3	C4	H5	H6	H7	H8	H9	H10	H11	H12
C1		2.1621	1.5562	1.5562	1.1042	1.1026	2.6667	3.1402	2.2067	2.2953	2.2067	2.2953
C2	2.1621		1.5562	1.5562	2.6667	3.1402	1.1042	1.1026	2.2067	2.2953	2.2067	2.2953
C3	1.5562	1.5562		2.1621	2.2067	2.2953	2.2067	2.2953	1.1042	1.1026	2.6667	3.1402
C4	1.5562	1.5562	2.1621		2.2067	2.2953	2.2067	2.2953	2.6667	3.1402	1.1042	1.1026
H5	1.1042	2.6667	2.2067	2.2067		1.7950	2.7250	3.7574	3.0980	2.5322	3.0980	2.5322
H6	1.1026	3.1402	2.2953	2.2953	1.7950		3.7574	3.9985	2.5322	2.9766	2.5322	2.9766
H7	2.6667	1.1042	2.2067	2.2067	2.7250	3.7574		1.7950	3.0980	2.5322	3.0980	2.5322
H8	3.1402	1.1026	2.2953	2.2953	3.7574	3.9985	1.7950		2.5322	2.9766	2.5322	2.9766
H9	2.2067	2.2067	1.1042	2.6667	3.0980	2.5322	3.0980	2.5322		1.7950	2.7250	3.7574
H10	2.2953	2.2953	1.1026	3.1402	2.5322	2.9766	2.5322	2.9766	1.7950		3.7574	3.9985
H11	2.2067	2.2067	2.6667	1.1042	3.0980	2.5322	3.0980	2.5322	2.7250	3.7574		1.7950
H12	2.2953	2.2953	3.1402	1.1026	2.5322	2.9766	2.5322	2.9766	3.7574	3.9985	1.7950

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C2	88.006	C1	C3	H9	110.943
C1	C3	H10	118.373	C1	C4	C2	88.006
C1	C4	H11	110.943	C1	C4	H12	118.373
C2	C3	H9	110.943	C2	C3	H10	118.373
C2	C4	H11	110.943	C2	C4	H12	118.373
C3	C1	C4	88.006	C3	C1	H5	110.943
C3	C1	H6	118.373	C3	C2	C4	88.006
C3	C2	H7	110.943	C3	C2	H8	118.373
C4	C1	H5	110.943	C4	C1	H6	118.373
C4	C2	H7	110.943	C4	C2	H8	118.373
H5	C1	H6	108.854	H7	C2	H8	108.854
H9	C3	H10	108.854	H11	C4	H12	108.854

All results from a given calculation for C₄H₈ (cyclobutane)

using model chemistry: CCSD=FULL/cc-pVDZ

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 C4H8 (cyclobutane)

using model chemistry: CCSD=FULL/cc-pVDZ

States and conformations

All results from a given calculation for C₄H₈ (cyclobutane)