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	hartrees
Energy at 0K	-27.370023
Energy at 298.15K	-27.379083
HF Energy	-27.370023
Nuclear repulsion energy	70.719646

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3143	3143	0.00
2	A₁	3110	3110	0.00
3	A₁	1541	1541	0.00
4	A₁	1141	1141	0.00
5	A₁	1036	1036	0.00
6	A₁	143	143	0.00
7	A₂	1297	1297	0.00
8	A₂	980	980	0.00
9	B₁	1267	1267	0.00
10	B₁	1202	1202	0.00
11	B₁	1001	1001	0.00
12	B₂	3189	3189	204.26
13	B₂	3089	3089	12.29
14	B₂	1504	1504	5.19
15	B₂	871	871	2.16
16	B₂	659	659	8.06
17	E	3164	3164	14.06
17	E	3164	3164	14.06
18	E	3095	3095	116.63
18	E	3095	3095	116.63
19	E	1506	1506	4.83
19	E	1506	1506	4.83
20	E	1313	1313	6.40
20	E	1313	1313	6.40
21	E	1256	1256	0.15
21	E	1256	1256	0.15
22	E	946	946	7.89
22	E	946	946	7.89
23	E	762	762	1.18
23	E	762	762	1.18

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	1.102	0.108
C2	0.000	-1.102	0.108
C3	-1.102	0.000	-0.108
C4	1.102	0.000	-0.108
H5	0.000	1.495	1.136
H6	0.000	1.950	-0.593
H7	0.000	-1.495	1.136
H8	0.000	-1.950	-0.593
H9	-1.495	0.000	-1.136
H10	-1.950	0.000	0.593
H11	1.495	0.000	-1.136
H12	1.950	0.000	0.593

	C1	C2	C3	C4	H5	H6	H7	H8	H9	H10	H11	H12
C1		2.2042	1.5734	1.5734	1.1012	1.0996	2.7934	3.1313	2.2353	2.2917	2.2353	2.2917
C2	2.2042		1.5734	1.5734	2.7934	3.1313	1.1012	1.0996	2.2353	2.2917	2.2353	2.2917
C3	1.5734	1.5734		2.2042	2.2353	2.2917	2.2353	2.2917	1.1012	1.0996	2.7934	3.1313
C4	1.5734	1.5734	2.2042		2.2353	2.2917	2.2353	2.2917	2.7934	3.1313	1.1012	1.0996
H5	1.1012	2.7934	2.2353	2.2353		1.7877	2.9899	3.8544	3.1039	2.5165	3.1039	2.5165
H6	1.0996	3.1313	2.2917	2.2917	1.7877		3.8544	3.8998	2.5165	3.0015	2.5165	3.0015
H7	2.7934	1.1012	2.2353	2.2353	2.9899	3.8544		1.7877	3.1039	2.5165	3.1039	2.5165
H8	3.1313	1.0996	2.2917	2.2917	3.8544	3.8998	1.7877		2.5165	3.0015	2.5165	3.0015
H9	2.2353	2.2353	1.1012	2.7934	3.1039	2.5165	3.1039	2.5165		1.7877	2.9899	3.8544
H10	2.2917	2.2917	1.0996	3.1313	2.5165	3.0015	2.5165	3.0015	1.7877		3.8544	3.8998
H11	2.2353	2.2353	2.7934	1.1012	3.1039	2.5165	3.1039	2.5165	2.9899	3.8544		1.7877
H12	2.2917	2.2917	3.1313	1.0996	2.5165	3.0015	2.5165	3.0015	3.8544	3.8998	1.7877

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C2	88.928	C1	C3	H9	112.191
C1	C3	H10	116.937	C1	C4	C2	88.928
C1	C4	H11	112.191	C1	C4	H12	116.937
C2	C3	H9	112.191	C2	C3	H10	116.937
C2	C4	H11	112.191	C2	C4	H12	116.937
C3	C1	C4	88.928	C3	C1	H5	112.191
C3	C1	H6	116.937	C3	C2	C4	88.928
C3	C2	H7	112.191	C3	C2	H8	116.937
C4	C1	H5	112.191	C4	C1	H6	116.937
C4	C2	H7	112.191	C4	C2	H8	116.937
H5	C1	H6	108.647	H7	C2	H8	108.647
H9	C3	H10	108.647	H11	C4	H12	108.647

All results from a given calculation for C₄H₈ (cyclobutane)

using model chemistry: wB97X-D/CEP-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	-0.275
2	C	-0.275
3	C	-0.275
4	C	-0.275
5	H	0.120
6	H	0.155
7	H	0.120
8	H	0.155
9	H	0.120
10	H	0.155
11	H	0.120
12	H	0.155

<r²>	66.728
(<r²>)^1/2	8.169

All results from a given calculation for C4H8 (cyclobutane)

using model chemistry: wB97X-D/CEP-31G

States and conformations

All results from a given calculation for C₄H₈ (cyclobutane)