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	hartrees
Energy at 0K	-157.061945
Energy at 298.15K	-157.071117
HF Energy	-156.857425
Nuclear repulsion energy	127.044199

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3112	3112	0.00
2	A₁	3081	3081	0.00
3	A₁	1556	1556	0.00
4	A₁	1196	1196	0.00
5	A₁	1033	1033	0.00
6	A₁	216	216	0.00
7	A₂	1268	1268	0.00
8	A₂	978	978	0.00
9	B₁	1278	1278	0.00
10	B₁	1183	1183	0.00
11	B₁	956	956	0.00
12	B₂	3145	3145	122.24
13	B₂	3072	3072	11.07
14	B₂	1522	1522	4.93
15	B₂	906	906	0.00
16	B₂	642	642	2.65
17	E	3127	3127	22.78
17	E	3127	3127	22.78
18	E	3074	3074	87.77
18	E	3074	3074	87.77
19	E	1515	1515	1.27
19	E	1515	1515	1.27
20	E	1307	1307	2.34
20	E	1307	1307	2.34
21	E	1268	1268	0.63
21	E	1268	1268	0.63
22	E	927	927	3.34
22	E	927	927	3.34
23	E	766	766	0.34
23	E	766	766	0.34

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	1.080	0.132
C2	0.000	-1.080	0.132
C3	-1.080	0.000	-0.132
C4	1.080	0.000	-0.132
H5	0.000	1.396	1.178
H6	0.000	1.970	-0.499
H7	0.000	-1.396	1.178
H8	0.000	-1.970	-0.499
H9	-1.396	0.000	-1.178
H10	-1.970	0.000	0.499
H11	1.396	0.000	-1.178
H12	1.970	0.000	0.499

	C1	C2	C3	C4	H5	H6	H7	H8	H9	H10	H11	H12
C1		2.1607	1.5506	1.5506	1.0923	1.0913	2.6884	3.1155	2.1987	2.2769	2.1987	2.2769
C2	2.1607		1.5506	1.5506	2.6884	3.1155	1.0923	1.0913	2.1987	2.2769	2.1987	2.2769
C3	1.5506	1.5506		2.1607	2.1987	2.2769	2.1987	2.2769	1.0923	1.0913	2.6884	3.1155
C4	1.5506	1.5506	2.1607		2.1987	2.2769	2.1987	2.2769	2.6884	3.1155	1.0923	1.0913
H5	1.0923	2.6884	2.1987	2.1987		1.7727	2.7927	3.7614	3.0741	2.5086	3.0741	2.5086
H6	1.0913	3.1155	2.2769	2.2769	1.7727		3.7614	3.9408	2.5086	2.9600	2.5086	2.9600
H7	2.6884	1.0923	2.1987	2.1987	2.7927	3.7614		1.7727	3.0741	2.5086	3.0741	2.5086
H8	3.1155	1.0913	2.2769	2.2769	3.7614	3.9408	1.7727		2.5086	2.9600	2.5086	2.9600
H9	2.1987	2.1987	1.0923	2.6884	3.0741	2.5086	3.0741	2.5086		1.7727	2.7927	3.7614
H10	2.2769	2.2769	1.0913	3.1155	2.5086	2.9600	2.5086	2.9600	1.7727		3.7614	3.9408
H11	2.1987	2.1987	2.6884	1.0923	3.0741	2.5086	3.0741	2.5086	2.7927	3.7614		1.7727
H12	2.2769	2.2769	3.1155	1.0913	2.5086	2.9600	2.5086	2.9600	3.7614	3.9408	1.7727

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C2	88.329	C1	C3	H9	111.408
C1	C3	H10	117.995	C1	C4	C2	88.329
C1	C4	H11	111.408	C1	C4	H12	117.995
C2	C3	H9	111.408	C2	C3	H10	117.995
C2	C4	H11	111.408	C2	C4	H12	117.995
C3	C1	C4	88.329	C3	C1	H5	111.408
C3	C1	H6	117.995	C3	C2	C4	88.329
C3	C2	H7	111.408	C3	C2	H8	117.995
C4	C1	H5	111.408	C4	C1	H6	117.995
C4	C2	H7	111.408	C4	C2	H8	117.995
H5	C1	H6	108.544	H7	C2	H8	108.544
H9	C3	H10	108.544	H11	C4	H12	108.544

All results from a given calculation for C₄H₈ (cyclobutane)

using model chemistry: B2PLYP=FULL/6-311G*

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=FULL/6-311G*

States and conformations

All results from a given calculation for C₄H₈ (cyclobutane)