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	hartrees
Energy at 0K	-157.096122
Energy at 298.15K
HF Energy	-156.879832
Nuclear repulsion energy	127.283077

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3117	3117	0.00
2	A₁	3081	3081	0.00
3	A₁	1541	1541	0.00
4	A₁	1193	1193	0.00
5	A₁	1025	1025	0.00
6	A₁	224	224	0.00
7	A₂	1269	1269	0.00
8	A₂	972	972	0.00
9	B₁	1272	1272	0.00
10	B₁	1171	1171	0.00
11	B₁	945	945	0.00
12	B₂	3147	3147	99.01
13	B₂	3075	3075	12.48
14	B₂	1508	1508	3.88
15	B₂	912	912	0.00
16	B₂	636	636	2.20
17	E	3130	3130	24.11
17	E	3130	3130	24.11
18	E	3076	3076	76.83
18	E	3076	3076	76.83
19	E	1502	1502	0.70
19	E	1502	1502	0.70
20	E	1305	1305	2.91
20	E	1305	1305	2.91
21	E	1260	1260	0.30
21	E	1260	1260	0.30
22	E	922	922	3.07
22	E	922	922	3.07
23	E	765	765	0.15
23	E	765	765	0.15

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	1.078	0.138
C2	0.000	-1.078	0.138
C3	-1.078	0.000	-0.138
C4	1.078	0.000	-0.138
H5	0.000	1.376	1.186
H6	0.000	1.973	-0.483
H7	0.000	-1.376	1.186
H8	0.000	-1.973	-0.483
H9	-1.376	0.000	-1.186
H10	-1.973	0.000	0.483
H11	1.376	0.000	-1.186
H12	1.973	0.000	0.483

	C1	C2	C3	C4	H5	H6	H7	H8	H9	H10	H11	H12
C1		2.1556	1.5489	1.5489	1.0903	1.0891	2.6684	3.1132	2.1926	2.2745	2.1926	2.2745
C2	2.1556		1.5489	1.5489	2.6684	3.1132	1.0903	1.0891	2.1926	2.2745	2.1926	2.2745
C3	1.5489	1.5489		2.1556	2.1926	2.2745	2.1926	2.2745	1.0903	1.0891	2.6684	3.1132
C4	1.5489	1.5489	2.1556		2.1926	2.2745	2.1926	2.2745	2.6684	3.1132	1.0903	1.0891
H5	1.0903	2.6684	2.1926	2.1926		1.7726	2.7519	3.7418	3.0685	2.5062	3.0685	2.5062
H6	1.0891	3.1132	2.2745	2.2745	1.7726		3.7418	3.9460	2.5062	2.9526	2.5062	2.9526
H7	2.6684	1.0903	2.1926	2.1926	2.7519	3.7418		1.7726	3.0685	2.5062	3.0685	2.5062
H8	3.1132	1.0891	2.2745	2.2745	3.7418	3.9460	1.7726		2.5062	2.9526	2.5062	2.9526
H9	2.1926	2.1926	1.0903	2.6684	3.0685	2.5062	3.0685	2.5062		1.7726	2.7519	3.7418
H10	2.2745	2.2745	1.0891	3.1132	2.5062	2.9526	2.5062	2.9526	1.7726		3.7418	3.9460
H11	2.1926	2.1926	2.6684	1.0903	3.0685	2.5062	3.0685	2.5062	2.7519	3.7418		1.7726
H12	2.2745	2.2745	3.1132	1.0891	2.5062	2.9526	2.5062	2.9526	3.7418	3.9460	1.7726

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C2	88.192	C1	C3	H9	111.172
C1	C3	H10	118.086	C1	C4	C2	88.192
C1	C4	H11	111.172	C1	C4	H12	118.086
C2	C3	H9	111.172	C2	C3	H10	118.086
C2	C4	H11	111.172	C2	C4	H12	118.086
C3	C1	C4	88.192	C3	C1	H5	111.172
C3	C1	H6	118.086	C3	C2	C4	88.192
C3	C2	H7	111.172	C3	C2	H8	118.086
C4	C1	H5	111.172	C4	C1	H6	118.086
C4	C2	H7	111.172	C4	C2	H8	118.086
H5	C1	H6	108.848	H7	C2	H8	108.848
H9	C3	H10	108.848	H11	C4	H12	108.848

All results from a given calculation for C₄H₈ (cyclobutane)

using model chemistry: B2PLYP=FULLultrafine/TZVP

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: B2PLYP=FULLultrafine/TZVP

States and conformations

All results from a given calculation for C₄H₈ (cyclobutane)