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	hartrees
Energy at 0K	-155.053666
Energy at 298.15K
HF Energy	-154.982043
Nuclear repulsion energy	125.117144

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3512	3512	0.00
2	A₁	3401	3401	0.00
3	A₁	1704	1704	0.00
4	A₁	1282	1282	0.00
5	A₁	1114	1114	0.00
6	A₁	79	79	0.00
7	A₂	1397	1397	0.00
8	A₂	1081	1081	0.00
9	B₁	1399	1399	0.00
10	B₁	1339	1339	0.00
11	B₁	1095	1095	0.00
12	B₂	3525	3525	8.70
13	B₂	3391	3391	0.10
14	B₂	1677	1677	0.08
15	B₂	889	889	0.16
16	B₂	758	758	3.22
17	E	3517	3517	0.22
17	E	3517	3517	0.22
18	E	3394	3394	5.04
18	E	3394	3394	5.04
19	E	1678	1678	0.07
19	E	1678	1678	0.07
20	E	1461	1461	0.63
20	E	1461	1461	0.63
21	E	1371	1371	0.00
21	E	1371	1371	0.00
22	E	1035	1035	0.15
22	E	1035	1035	0.15
23	E	823	823	0.20
23	E	823	823	0.20

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	1.109	0.055
C2	0.000	-1.109	0.055
C3	-1.109	0.000	-0.055
C4	1.109	0.000	-0.055
H5	0.000	1.625	1.027
H6	0.000	1.861	-0.749
H7	0.000	-1.625	1.027
H8	0.000	-1.861	-0.749
H9	-1.625	0.000	-1.027
H10	-1.861	0.000	0.749
H11	1.625	0.000	-1.027
H12	1.861	0.000	0.749

	C1	C2	C3	C4	H5	H6	H7	H8	H9	H10	H11	H12
C1		2.2181	1.5722	1.5722	1.1009	1.1010	2.9019	3.0771	2.2453	2.2752	2.2453	2.2752
C2	2.2181		1.5722	1.5722	2.9019	3.0771	1.1009	1.1010	2.2453	2.2752	2.2453	2.2752
C3	1.5722	1.5722		2.2181	2.2453	2.2752	2.2453	2.2752	1.1009	1.1010	2.9019	3.0771
C4	1.5722	1.5722	2.2181		2.2453	2.2752	2.2453	2.2752	2.9019	3.0771	1.1009	1.1010
H5	1.1009	2.9019	2.2453	2.2453		1.7922	3.2501	3.9128	3.0825	2.4863	3.0825	2.4863
H6	1.1010	3.0771	2.2752	2.2752	1.7922		3.9128	3.7223	2.4863	3.0289	2.4863	3.0289
H7	2.9019	1.1009	2.2453	2.2453	3.2501	3.9128		1.7922	3.0825	2.4863	3.0825	2.4863
H8	3.0771	1.1010	2.2752	2.2752	3.9128	3.7223	1.7922		2.4863	3.0289	2.4863	3.0289
H9	2.2453	2.2453	1.1009	2.9019	3.0825	2.4863	3.0825	2.4863		1.7922	3.2501	3.9128
H10	2.2752	2.2752	1.1010	3.0771	2.4863	3.0289	2.4863	3.0289	1.7922		3.9128	3.7223
H11	2.2453	2.2453	2.9019	1.1009	3.0825	2.4863	3.0825	2.4863	3.2501	3.9128		1.7922
H12	2.2752	2.2752	3.0771	1.1010	2.4863	3.0289	2.4863	3.0289	3.9128	3.7223	1.7922

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C2	89.723	C1	C3	H9	113.083
C1	C3	H10	115.535	C1	C4	C2	89.723
C1	C4	H11	113.083	C1	C4	H12	115.535
C2	C3	H9	113.083	C2	C3	H10	115.535
C2	C4	H11	113.083	C2	C4	H12	115.535
C3	C1	C4	89.723	C3	C1	H5	113.083
C3	C1	H6	115.535	C3	C2	C4	89.723
C3	C2	H7	113.083	C3	C2	H8	115.535
C4	C1	H5	113.083	C4	C1	H6	115.535
C4	C2	H7	113.083	C4	C2	H8	115.535
H5	C1	H6	108.963	H7	C2	H8	108.963
H9	C3	H10	108.963	H11	C4	H12	108.963

All results from a given calculation for C₄H₈ (cyclobutane)

using model chemistry: B2PLYP=FULLultrafine/STO-3G

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/STO-3G

States and conformations

All results from a given calculation for C₄H₈ (cyclobutane)