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	hartrees
Energy at 0K	-156.902574
Energy at 298.15K	-156.911754
HF Energy	-156.779682
Nuclear repulsion energy	126.089908

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3134	3134	0.00
2	A₁	3096	3096	0.00
3	A₁	1576	1576	0.00
4	A₁	1221	1221	0.00
5	A₁	1018	1018	0.00
6	A₁	197	197	0.00
7	A₂	1317	1317	0.00
8	A₂	994	994	0.00
9	B₁	1297	1297	0.00
10	B₁	1203	1203	0.00
11	B₁	956	956	0.00
12	B₂	3165	3165	108.38
13	B₂	3087	3087	11.09
14	B₂	1556	1556	3.73
15	B₂	915	915	0.05
16	B₂	661	661	3.29
17	E	3146	3146	18.75
17	E	3146	3146	18.75
18	E	3088	3088	73.71
18	E	3088	3088	73.71
19	E	1548	1548	1.44
19	E	1548	1548	1.44
20	E	1331	1331	1.30
20	E	1331	1331	1.30
21	E	1278	1278	0.43
21	E	1278	1278	0.43
22	E	923	923	3.69
22	E	923	923	3.69
23	E	784	784	0.25
23	E	784	784	0.25

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	1.093	0.122
C2	0.000	-1.093	0.122
C3	-1.093	0.000	-0.122
C4	1.093	0.000	-0.122
H5	0.000	1.440	1.161
H6	0.000	1.965	-0.537
H7	0.000	-1.440	1.161
H8	0.000	-1.965	-0.537
H9	-1.440	0.000	-1.161
H10	-1.965	0.000	0.537
H11	1.440	0.000	-1.161
H12	1.965	0.000	0.537

	C1	C2	C3	C4	H5	H6	H7	H8	H9	H10	H11	H12
C1		2.1856	1.5646	1.5646	1.0948	1.0932	2.7370	3.1280	2.2162	2.2864	2.2162	2.2864
C2	2.1856		1.5646	1.5646	2.7370	3.1280	1.0948	1.0932	2.2162	2.2864	2.2162	2.2864
C3	1.5646	1.5646		2.1856	2.2162	2.2864	2.2162	2.2864	1.0948	1.0932	2.7370	3.1280
C4	1.5646	1.5646	2.1856		2.2162	2.2864	2.2162	2.2864	2.7370	3.1280	1.0948	1.0932
H5	1.0948	2.7370	2.2162	2.2162		1.7770	2.8790	3.8042	3.0873	2.5144	3.0873	2.5144
H6	1.0932	3.1280	2.2864	2.2864	1.7770		3.8042	3.9299	2.5144	2.9792	2.5144	2.9792
H7	2.7370	1.0948	2.2162	2.2162	2.8790	3.8042		1.7770	3.0873	2.5144	3.0873	2.5144
H8	3.1280	1.0932	2.2864	2.2864	3.8042	3.9299	1.7770		2.5144	2.9792	2.5144	2.9792
H9	2.2162	2.2162	1.0948	2.7370	3.0873	2.5144	3.0873	2.5144		1.7770	2.8790	3.8042
H10	2.2864	2.2864	1.0932	3.1280	2.5144	2.9792	2.5144	2.9792	1.7770		3.8042	3.9299
H11	2.2162	2.2162	2.7370	1.0948	3.0873	2.5144	3.0873	2.5144	2.8790	3.8042		1.7770
H12	2.2864	2.2864	3.1280	1.0932	2.5144	2.9792	2.5144	2.9792	3.8042	3.9299	1.7770

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C2	88.605	C1	C3	H9	111.667
C1	C3	H10	117.592	C1	C4	C2	88.605
C1	C4	H11	111.667	C1	C4	H12	117.592
C2	C3	H9	111.667	C2	C3	H10	117.592
C2	C4	H11	111.667	C2	C4	H12	117.592
C3	C1	C4	88.605	C3	C1	H5	111.667
C3	C1	H6	117.592	C3	C2	C4	88.605
C3	C2	H7	111.667	C3	C2	H8	117.592
C4	C1	H5	111.667	C4	C1	H6	117.592
C4	C2	H7	111.667	C4	C2	H8	117.592
H5	C1	H6	108.614	H7	C2	H8	108.614
H9	C3	H10	108.614	H11	C4	H12	108.614

All results from a given calculation for C₄H₈ (cyclobutane)

using model chemistry: B2PLYP=FULL/6-31G

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/6-31G

States and conformations

All results from a given calculation for C₄H₈ (cyclobutane)