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	hartrees
Energy at 0K	-157.061943
Energy at 298.15K
HF Energy	-156.857422
Nuclear repulsion energy	127.046663

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	1555	1555	0.00
4	A₁	1196	1196	0.00
5	A₁	1033	1033	0.00
6	A₁	213	213	0.00
7	A₂	1268	1268	0.00
8	A₂	978	978	0.00
9	B₁	1277	1277	0.00
10	B₁	1184	1184	0.00
11	B₁	955	955	0.00
12	B₂	3145	3145	122.07
13	B₂	3072	3072	11.26
14	B₂	1521	1521	4.95
15	B₂	906	906	0.00
16	B₂	641	641	2.64
17	E	3126	3126	23.16
17	E	3126	3126	23.16
18	E	3074	3074	87.41
18	E	3074	3074	87.41
19	E	1514	1514	1.27
19	E	1514	1514	1.27
20	E	1307	1307	2.37
20	E	1307	1307	2.37
21	E	1268	1268	0.60
21	E	1268	1268	0.60
22	E	927	927	3.33
22	E	927	927	3.33
23	E	766	766	0.34
23	E	766	766	0.34

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	1.080	0.133
C2	0.000	-1.080	0.133
C3	-1.080	0.000	-0.133
C4	1.080	0.000	-0.133
H5	0.000	1.396	1.178
H6	0.000	1.971	-0.499
H7	0.000	-1.396	1.178
H8	0.000	-1.971	-0.499
H9	-1.396	0.000	-1.178
H10	-1.971	0.000	0.499
H11	1.396	0.000	-1.178
H12	1.971	0.000	0.499

	C1	C2	C3	C4	H5	H6	H7	H8	H9	H10	H11	H12
C1		2.1606	1.5506	1.5506	1.0923	1.0913	2.6879	3.1155	2.1986	2.2769	2.1986	2.2769
C2	2.1606		1.5506	1.5506	2.6879	3.1155	1.0923	1.0913	2.1986	2.2769	2.1986	2.2769
C3	1.5506	1.5506		2.1606	2.1986	2.2769	2.1986	2.2769	1.0923	1.0913	2.6879	3.1155
C4	1.5506	1.5506	2.1606		2.1986	2.2769	2.1986	2.2769	2.6879	3.1155	1.0923	1.0913
H5	1.0923	2.6879	2.1986	2.1986		1.7727	2.7915	3.7609	3.0741	2.5087	3.0741	2.5087
H6	1.0913	3.1155	2.2769	2.2769	1.7727		3.7609	3.9413	2.5087	2.9599	2.5087	2.9599
H7	2.6879	1.0923	2.1986	2.1986	2.7915	3.7609		1.7727	3.0741	2.5087	3.0741	2.5087
H8	3.1155	1.0913	2.2769	2.2769	3.7609	3.9413	1.7727		2.5087	2.9599	2.5087	2.9599
H9	2.1986	2.1986	1.0923	2.6879	3.0741	2.5087	3.0741	2.5087		1.7727	2.7915	3.7609
H10	2.2769	2.2769	1.0913	3.1155	2.5087	2.9599	2.5087	2.9599	1.7727		3.7609	3.9413
H11	2.1986	2.1986	2.6879	1.0923	3.0741	2.5087	3.0741	2.5087	2.7915	3.7609		1.7727
H12	2.2769	2.2769	3.1155	1.0913	2.5087	2.9599	2.5087	2.9599	3.7609	3.9413	1.7727

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C2	88.324	C1	C3	H9	111.402
C1	C3	H10	118.000	C1	C4	C2	88.324
C1	C4	H11	111.402	C1	C4	H12	118.000
C2	C3	H9	111.402	C2	C3	H10	118.000
C2	C4	H11	111.402	C2	C4	H12	118.000
C3	C1	C4	88.324	C3	C1	H5	111.402
C3	C1	H6	118.000	C3	C2	C4	88.324
C3	C2	H7	111.402	C3	C2	H8	118.000
C4	C1	H5	111.402	C4	C1	H6	118.000
C4	C2	H7	111.402	C4	C2	H8	118.000
H5	C1	H6	108.548	H7	C2	H8	108.548
H9	C3	H10	108.548	H11	C4	H12	108.548

All results from a given calculation for C₄H₈ (cyclobutane)

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

States and conformations

All results from a given calculation for C₄H₈ (cyclobutane)