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	hartrees
Energy at 0K	-154.273903
Energy at 298.15K	-154.283017
HF Energy	-154.273903
Nuclear repulsion energy	126.629352

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3740	3054	0.00
2	A₁	3628	2962	0.00
3	A₁	1841	1503	0.00
4	A₁	1389	1134	0.00
5	A₁	1210	988	0.00
6	A₁	60	49	0.00
7	A₂	1524	1244	0.00
8	A₂	1169	955	0.00
9	B₁	1538	1256	0.00
10	B₁	1453	1186	0.00
11	B₁	1195	976	0.00
12	B₂	3751	3063	6.81
13	B₂	3611	2949	0.04
14	B₂	1802	1471	0.02
15	B₂	948	774	0.01
16	B₂	835	682	1.81
17	E	3745	3057	0.08
17	E	3745	3057	0.08
18	E	3617	2953	3.12
18	E	3617	2953	3.12
19	E	1810	1478	0.30
19	E	1810	1478	0.30
20	E	1613	1317	2.48
20	E	1613	1317	2.48
21	E	1481	1209	0.00
21	E	1481	1209	0.00
22	E	1133	925	0.00
22	E	1133	925	0.00
23	E	889	726	0.09
23	E	889	726	0.09

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	1.097	0.039
C2	0.000	-1.097	0.039
C3	-1.097	0.000	-0.039
C4	1.097	0.000	-0.039
H5	0.000	1.644	0.977
H6	0.000	1.810	-0.781
H7	0.000	-1.644	0.977
H8	0.000	-1.810	-0.781
H9	-1.644	0.000	-0.977
H10	-1.810	0.000	0.781
H11	1.644	0.000	-0.977
H12	1.810	0.000	0.781

	C1	C2	C3	C4	H5	H6	H7	H8	H9	H10	H11	H12
C1		2.1939	1.5532	1.5532	1.0866	1.0867	2.8975	3.0206	2.2224	2.2432	2.2224	2.2432
C2	2.1939		1.5532	1.5532	2.8975	3.0206	1.0866	1.0867	2.2224	2.2432	2.2224	2.2432
C3	1.5532	1.5532		2.1939	2.2224	2.2432	2.2224	2.2432	1.0866	1.0867	2.8975	3.0206
C4	1.5532	1.5532	2.1939		2.2224	2.2432	2.2224	2.2432	2.8975	3.0206	1.0866	1.0867
H5	1.0866	2.8975	2.2224	2.2224		1.7662	3.2886	3.8764	3.0377	2.4535	3.0377	2.4535
H6	1.0867	3.0206	2.2432	2.2432	1.7662		3.8764	3.6206	2.4535	2.9992	2.4535	2.9992
H7	2.8975	1.0866	2.2224	2.2224	3.2886	3.8764		1.7662	3.0377	2.4535	3.0377	2.4535
H8	3.0206	1.0867	2.2432	2.2432	3.8764	3.6206	1.7662		2.4535	2.9992	2.4535	2.9992
H9	2.2224	2.2224	1.0866	2.8975	3.0377	2.4535	3.0377	2.4535		1.7662	3.2886	3.8764
H10	2.2432	2.2432	1.0867	3.0206	2.4535	2.9992	2.4535	2.9992	1.7662		3.8764	3.6206
H11	2.2224	2.2224	2.8975	1.0866	3.0377	2.4535	3.0377	2.4535	3.2886	3.8764		1.7662
H12	2.2432	2.2432	3.0206	1.0867	2.4535	2.9992	2.4535	2.9992	3.8764	3.6206	1.7662

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C2	89.858	C1	C3	H9	113.497
C1	C3	H10	115.222	C1	C4	C2	89.858
C1	C4	H11	113.497	C1	C4	H12	115.222
C2	C3	H9	113.497	C2	C3	H10	115.222
C2	C4	H11	113.497	C2	C4	H12	115.222
C3	C1	C4	89.858	C3	C1	H5	113.497
C3	C1	H6	115.222	C3	C2	C4	89.858
C3	C2	H7	113.497	C3	C2	H8	115.222
C4	C1	H5	113.497	C4	C1	H6	115.222
C4	C2	H7	113.497	C4	C2	H8	115.222
H5	C1	H6	108.721	H7	C2	H8	108.721
H9	C3	H10	108.721	H11	C4	H12	108.721

All results from a given calculation for C₄H₈ (cyclobutane)

using model chemistry: HF/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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Number	Element	Mulliken
1	C	-0.106
2	C	-0.106
3	C	-0.106
4	C	-0.106
5	H	0.054
6	H	0.053
7	H	0.054
8	H	0.053
9	H	0.054
10	H	0.053
11	H	0.054
12	H	0.053

<r²>	74.900
(<r²>)^1/2	8.654

All results from a given calculation for C4H8 (cyclobutane)

using model chemistry: HF/STO-3G

States and conformations

All results from a given calculation for C₄H₈ (cyclobutane)