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	hartrees
Energy at 0K	-157.187660
Energy at 298.15K	-157.196814
HF Energy	-157.187660
Nuclear repulsion energy	127.363620

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3135	2983	0.00
2	A₁	3097	2947	0.00
3	A₁	1540	1465	0.00
4	A₁	1185	1128	0.00
5	A₁	1046	995	0.00
6	A₁	208	198	0.00
7	A₂	1264	1203	0.00
8	A₂	975	927	0.00
9	B₁	1276	1214	0.00
10	B₁	1185	1127	0.00
11	B₁	973	926	0.00
12	B₂	3164	3011	90.05
13	B₂	3089	2939	9.96
14	B₂	1503	1430	4.20
15	B₂	900	856	0.01
16	B₂	634	604	3.70
17	E	3148	2996	18.39
17	E	3148	2996	18.39
18	E	3090	2940	75.06
18	E	3090	2940	75.06
19	E	1497	1425	0.49
19	E	1497	1425	0.49
20	E	1308	1245	1.39
20	E	1308	1245	1.39
21	E	1265	1204	0.26
21	E	1265	1204	0.26
22	E	942	896	2.88
22	E	942	896	2.88
23	E	763	726	0.71
23	E	763	726	0.71

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	1.076	0.132
C2	0.000	-1.076	0.132
C3	-1.076	0.000	-0.132
C4	1.076	0.000	-0.132
H5	0.000	1.391	1.179
H6	0.000	1.969	-0.498
H7	0.000	-1.391	1.179
H8	0.000	-1.969	-0.498
H9	-1.391	0.000	-1.179
H10	-1.969	0.000	0.498
H11	1.391	0.000	-1.179
H12	1.969	0.000	0.498

	C1	C2	C3	C4	H5	H6	H7	H8	H9	H10	H11	H12
C1		2.1521	1.5443	1.5443	1.0935	1.0925	2.6805	3.1092	2.1933	2.2733	2.1933	2.2733
C2	2.1521		1.5443	1.5443	2.6805	3.1092	1.0935	1.0925	2.1933	2.2733	2.1933	2.2733
C3	1.5443	1.5443		2.1521	2.1933	2.2733	2.1933	2.2733	1.0935	1.0925	2.6805	3.1092
C4	1.5443	1.5443	2.1521		2.1933	2.2733	2.1933	2.2733	2.6805	3.1092	1.0935	1.0925
H5	1.0935	2.6805	2.1933	2.1933		1.7736	2.7829	3.7554	3.0706	2.5048	3.0706	2.5048
H6	1.0925	3.1092	2.2733	2.2733	1.7736		3.7554	3.9373	2.5048	2.9572	2.5048	2.9572
H7	2.6805	1.0935	2.1933	2.1933	2.7829	3.7554		1.7736	3.0706	2.5048	3.0706	2.5048
H8	3.1092	1.0925	2.2733	2.2733	3.7554	3.9373	1.7736		2.5048	2.9572	2.5048	2.9572
H9	2.1933	2.1933	1.0935	2.6805	3.0706	2.5048	3.0706	2.5048		1.7736	2.7829	3.7554
H10	2.2733	2.2733	1.0925	3.1092	2.5048	2.9572	2.5048	2.9572	1.7736		3.7554	3.9373
H11	2.1933	2.1933	2.6805	1.0935	3.0706	2.5048	3.0706	2.5048	2.7829	3.7554		1.7736
H12	2.2733	2.2733	3.1092	1.0925	2.5048	2.9572	2.5048	2.9572	3.7554	3.9373	1.7736

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C2	88.337	C1	C3	H9	111.352
C1	C3	H10	118.099	C1	C4	C2	88.337
C1	C4	H11	111.352	C1	C4	H12	118.099
C2	C3	H9	111.352	C2	C3	H10	118.099
C2	C4	H11	111.352	C2	C4	H12	118.099
C3	C1	C4	88.337	C3	C1	H5	111.352
C3	C1	H6	118.099	C3	C2	C4	88.337
C3	C2	H7	111.352	C3	C2	H8	118.099
C4	C1	H5	111.352	C4	C1	H6	118.099
C4	C2	H7	111.352	C4	C2	H8	118.099
H5	C1	H6	108.453	H7	C2	H8	108.453
H9	C3	H10	108.453	H11	C4	H12	108.453

All results from a given calculation for C₄H₈ (cyclobutane)

using model chemistry: mPW1PW91/6-31G**

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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Number	Element	Mulliken
1	C	-0.254
2	C	-0.254
3	C	-0.254
4	C	-0.254
5	H	0.130
6	H	0.123
7	H	0.130
8	H	0.123
9	H	0.130
10	H	0.123
11	H	0.130
12	H	0.123

<r²>	74.385
(<r²>)^1/2	8.625

All results from a given calculation for C4H8 (cyclobutane)

using model chemistry: mPW1PW91/6-31G**

States and conformations

All results from a given calculation for C₄H₈ (cyclobutane)