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	hartrees
Energy at 0K	-156.765370
Energy at 298.15K	-156.774540
HF Energy	-156.111932
Nuclear repulsion energy	126.261811

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3116	3116	0.00
2	A₁	3074	3074	0.00
3	A₁	1525	1525	0.00
4	A₁	1179	1179	0.00
5	A₁	1033	1033	0.00
6	A₁	228	228	0.00
7	A₂	1250	1250	0.00
8	A₂	956	956	0.00
9	B₁	1260	1260	0.00
10	B₁	1167	1167	0.00
11	B₁	951	951	0.00
12	B₂	3143	3143	98.79
13	B₂	3065	3065	18.29
14	B₂	1487	1487	3.37
15	B₂	909	909	0.14
16	B₂	625	625	1.37
17	E	3127	3127	28.48
17	E	3127	3127	28.48
18	E	3067	3067	69.65
18	E	3067	3067	69.65
19	E	1481	1481	0.32
19	E	1481	1481	0.32
20	E	1289	1289	0.87
20	E	1289	1289	0.87
21	E	1250	1250	0.10
21	E	1250	1250	0.10
22	E	921	921	2.02
22	E	921	921	2.02
23	E	751	751	0.15
23	E	751	751	0.15

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	1.085	0.142
C2	0.000	-1.085	0.142
C3	-1.085	0.000	-0.142
C4	1.085	0.000	-0.142
H5	0.000	1.376	1.205
H6	0.000	1.994	-0.479
H7	0.000	-1.376	1.205
H8	0.000	-1.994	-0.479
H9	-1.376	0.000	-1.205
H10	-1.994	0.000	0.479
H11	1.376	0.000	-1.205
H12	1.994	0.000	0.479

	C1	C2	C3	C4	H5	H6	H7	H8	H9	H10	H11	H12
C1		2.1699	1.5602	1.5602	1.1024	1.1008	2.6805	3.1409	2.2096	2.2950	2.2096	2.2950
C2	2.1699		1.5602	1.5602	2.6805	3.1409	1.1024	1.1008	2.2096	2.2950	2.2096	2.2950
C3	1.5602	1.5602		2.1699	2.2096	2.2950	2.2096	2.2950	1.1024	1.1008	2.6805	3.1409
C4	1.5602	1.5602	2.1699		2.2096	2.2950	2.2096	2.2950	2.6805	3.1409	1.1024	1.1008
H5	1.1024	2.6805	2.2096	2.2096		1.7942	2.7512	3.7671	3.0971	2.5288	3.0971	2.5288
H6	1.1008	3.1409	2.2950	2.2950	1.7942		3.7671	3.9879	2.5288	2.9784	2.5288	2.9784
H7	2.6805	1.1024	2.2096	2.2096	2.7512	3.7671		1.7942	3.0971	2.5288	3.0971	2.5288
H8	3.1409	1.1008	2.2950	2.2950	3.7671	3.9879	1.7942		2.5288	2.9784	2.5288	2.9784
H9	2.2096	2.2096	1.1024	2.6805	3.0971	2.5288	3.0971	2.5288		1.7942	2.7512	3.7671
H10	2.2950	2.2950	1.1008	3.1409	2.5288	2.9784	2.5288	2.9784	1.7942		3.7671	3.9879
H11	2.2096	2.2096	2.6805	1.1024	3.0971	2.5288	3.0971	2.5288	2.7512	3.7671		1.7942
H12	2.2950	2.2950	3.1409	1.1008	2.5288	2.9784	2.5288	2.9784	3.7671	3.9879	1.7942

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C2	88.114	C1	C3	H9	110.996
C1	C3	H10	118.159	C1	C4	C2	88.114
C1	C4	H11	110.996	C1	C4	H12	118.159
C2	C3	H9	110.996	C2	C3	H10	118.159
C2	C4	H11	110.996	C2	C4	H12	118.159
C3	C1	C4	88.114	C3	C1	H5	110.996
C3	C1	H6	118.159	C3	C2	C4	88.114
C3	C2	H7	110.996	C3	C2	H8	118.159
C4	C1	H5	110.996	C4	C1	H6	118.159
C4	C2	H7	110.996	C4	C2	H8	118.159
H5	C1	H6	109.046	H7	C2	H8	109.046
H9	C3	H10	109.046	H11	C4	H12	109.046

All results from a given calculation for C₄H₈ (cyclobutane)

using model chemistry: CCSD=FULL/aug-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/aug-cc-pVDZ

States and conformations

All results from a given calculation for C₄H₈ (cyclobutane)