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	hartrees
Energy at 0K	-157.245601
Energy at 298.15K	-157.254693
HF Energy	-157.245601
Nuclear repulsion energy	126.723168

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3076	2972	0.00
2	A₁	3051	2948	0.00
3	A₁	1537	1485	0.00
4	A₁	1181	1141	0.00
5	A₁	1016	982	0.00
6	A₁	182	176	0.00
7	A₂	1262	1220	0.00
8	A₂	973	940	0.00
9	B₁	1265	1223	0.00
10	B₁	1178	1138	0.00
11	B₁	946	914	0.00
12	B₂	3110	3005	136.51
13	B₂	3043	2940	9.38
14	B₂	1504	1453	3.99
15	B₂	886	856	0.01
16	B₂	644	623	2.81
17	E	3090	2986	21.66
17	E	3090	2986	21.66
18	E	3044	2942	97.30
18	E	3044	2942	97.30
19	E	1498	1447	1.35
19	E	1498	1447	1.35
20	E	1294	1251	1.94
20	E	1294	1251	1.94
21	E	1257	1214	0.59
21	E	1257	1214	0.59
22	E	916	885	3.03
22	E	916	885	3.03
23	E	757	731	0.26
23	E	757	731	0.26

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	1.085	0.120
C2	0.000	-1.085	0.120
C3	-1.085	0.000	-0.120
C4	1.085	0.000	-0.120
H5	0.000	1.438	1.155
H6	0.000	1.957	-0.539
H7	0.000	-1.438	1.155
H8	0.000	-1.957	-0.539
H9	-1.438	0.000	-1.155
H10	-1.957	0.000	0.539
H11	1.438	0.000	-1.155
H12	1.957	0.000	0.539

	C1	C2	C3	C4	H5	H6	H7	H8	H9	H10	H11	H12
C1		2.1709	1.5536	1.5536	1.0934	1.0925	2.7272	3.1131	2.2067	2.2770	2.2067	2.2770
C2	2.1709		1.5536	1.5536	2.7272	3.1131	1.0934	1.0925	2.2067	2.2770	2.2067	2.2770
C3	1.5536	1.5536		2.1709	2.2067	2.2770	2.2067	2.2770	1.0934	1.0925	2.7272	3.1131
C4	1.5536	1.5536	2.1709		2.2067	2.2770	2.2067	2.2770	2.7272	3.1131	1.0934	1.0925
H5	1.0934	2.7272	2.2067	2.2067		1.7716	2.8754	3.7939	3.0770	2.5054	3.0770	2.5054
H6	1.0925	3.1131	2.2770	2.2770	1.7716		3.7939	3.9144	2.5054	2.9703	2.5054	2.9703
H7	2.7272	1.0934	2.2067	2.2067	2.8754	3.7939		1.7716	3.0770	2.5054	3.0770	2.5054
H8	3.1131	1.0925	2.2770	2.2770	3.7939	3.9144	1.7716		2.5054	2.9703	2.5054	2.9703
H9	2.2067	2.2067	1.0934	2.7272	3.0770	2.5054	3.0770	2.5054		1.7716	2.8754	3.7939
H10	2.2770	2.2770	1.0925	3.1131	2.5054	2.9703	2.5054	2.9703	1.7716		3.7939	3.9144
H11	2.2067	2.2067	2.7272	1.0934	3.0770	2.5054	3.0770	2.5054	2.8754	3.7939		1.7716
H12	2.2770	2.2770	3.1131	1.0925	2.5054	2.9703	2.5054	2.9703	3.7939	3.9144	1.7716

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C2	88.640	C1	C3	H9	111.772
C1	C3	H10	117.685	C1	C4	C2	88.640
C1	C4	H11	111.772	C1	C4	H12	117.685
C2	C3	H9	111.772	C2	C3	H10	117.685
C2	C4	H11	111.772	C2	C4	H12	117.685
C3	C1	C4	88.640	C3	C1	H5	111.772
C3	C1	H6	117.685	C3	C2	C4	88.640
C3	C2	H7	111.772	C3	C2	H8	117.685
C4	C1	H5	111.772	C4	C1	H6	117.685
C4	C2	H7	111.772	C4	C2	H8	117.685
H5	C1	H6	108.277	H7	C2	H8	108.277
H9	C3	H10	108.277	H11	C4	H12	108.277

All results from a given calculation for C₄H₈ (cyclobutane)

using model chemistry: B3LYPultrafine/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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Number	Element	Mulliken
1	C	-0.404
2	C	-0.404
3	C	-0.404
4	C	-0.404
5	H	0.203
6	H	0.202
7	H	0.203
8	H	0.202
9	H	0.203
10	H	0.202
11	H	0.203
12	H	0.202

<r²>	75.614
(<r²>)^1/2	8.696

All results from a given calculation for C4H8 (cyclobutane)

using model chemistry: B3LYPultrafine/6-311G*

States and conformations

All results from a given calculation for C₄H₈ (cyclobutane)