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	hartrees
Energy at 0K	-157.188025
Energy at 298.15K	-157.197072
HF Energy	-157.188025
Nuclear repulsion energy	125.694520

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3119	2998	0.00
2	A₁	3083	2963	0.00
3	A₁	1533	1474	0.00
4	A₁	1186	1140	0.00
5	A₁	1017	978	0.00
6	A₁	149	143	0.00
7	A₂	1289	1239	0.00
8	A₂	972	934	0.00
9	B₁	1260	1211	0.00
10	B₁	1181	1135	0.00
11	B₁	972	935	0.00
12	B₂	3161	3038	161.27
13	B₂	3065	2946	11.18
14	B₂	1508	1449	4.73
15	B₂	872	838	2.34
16	B₂	660	634	7.88
17	E	3136	3014	16.93
17	E	3136	3014	16.93
18	E	3070	2951	104.12
18	E	3070	2951	104.11
19	E	1504	1446	4.77
19	E	1504	1446	4.77
20	E	1297	1247	6.10
20	E	1297	1247	6.10
21	E	1248	1199	0.77
21	E	1248	1199	0.77
22	E	922	887	8.29
22	E	922	887	8.29
23	E	767	738	0.46
23	E	767	738	0.46

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	1.099	0.108
C2	0.000	-1.099	0.108
C3	-1.099	0.000	-0.108
C4	1.099	0.000	-0.108
H5	0.000	1.487	1.133
H6	0.000	1.946	-0.586
H7	0.000	-1.487	1.133
H8	0.000	-1.946	-0.586
H9	-1.487	0.000	-1.133
H10	-1.946	0.000	0.586
H11	1.487	0.000	-1.133
H12	1.946	0.000	0.586

	C1	C2	C3	C4	H5	H6	H7	H8	H9	H10	H11	H12
C1		2.1975	1.5687	1.5687	1.0966	1.0952	2.7817	3.1228	2.2266	2.2854	2.2266	2.2854
C2	2.1975		1.5687	1.5687	2.7817	3.1228	1.0966	1.0952	2.2266	2.2854	2.2266	2.2854
C3	1.5687	1.5687		2.1975	2.2266	2.2854	2.2266	2.2854	1.0966	1.0952	2.7817	3.1228
C4	1.5687	1.5687	2.1975		2.2266	2.2854	2.2266	2.2854	2.7817	3.1228	1.0966	1.0952
H5	1.0966	2.7817	2.2266	2.2266		1.7798	2.9739	3.8395	3.0917	2.5093	3.0917	2.5093
H6	1.0952	3.1228	2.2854	2.2854	1.7798		3.8395	3.8918	2.5093	2.9914	2.5093	2.9914
H7	2.7817	1.0966	2.2266	2.2266	2.9739	3.8395		1.7798	3.0917	2.5093	3.0917	2.5093
H8	3.1228	1.0952	2.2854	2.2854	3.8395	3.8918	1.7798		2.5093	2.9914	2.5093	2.9914
H9	2.2266	2.2266	1.0966	2.7817	3.0917	2.5093	3.0917	2.5093		1.7798	2.9739	3.8395
H10	2.2854	2.2854	1.0952	3.1228	2.5093	2.9914	2.5093	2.9914	1.7798		3.8395	3.8918
H11	2.2266	2.2266	2.7817	1.0966	3.0917	2.5093	3.0917	2.5093	2.9739	3.8395		1.7798
H12	2.2854	2.2854	3.1228	1.0952	2.5093	2.9914	2.5093	2.9914	3.8395	3.8918	1.7798

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C2	88.921	C1	C3	H9	112.102
C1	C3	H10	117.056	C1	C4	C2	88.921
C1	C4	H11	112.102	C1	C4	H12	117.056
C2	C3	H9	112.102	C2	C3	H10	117.056
C2	C4	H11	112.102	C2	C4	H12	117.056
C3	C1	C4	88.921	C3	C1	H5	112.102
C3	C1	H6	117.056	C3	C2	C4	88.921
C3	C2	H7	112.102	C3	C2	H8	117.056
C4	C1	H5	112.102	C4	C1	H6	117.056
C4	C2	H7	112.102	C4	C2	H8	117.056
H5	C1	H6	108.594	H7	C2	H8	108.594
H9	C3	H10	108.594	H11	C4	H12	108.594

All results from a given calculation for C₄H₈ (cyclobutane)

using model chemistry: B3LYP/SDD

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	-0.394
2	C	-0.394
3	C	-0.394
4	C	-0.394
5	H	0.192
6	H	0.201
7	H	0.192
8	H	0.201
9	H	0.192
10	H	0.201
11	H	0.192
12	H	0.201

<r²>	76.191
(<r²>)^1/2	8.729

All results from a given calculation for C4H8 (cyclobutane)

using model chemistry: B3LYP/SDD

States and conformations

All results from a given calculation for C₄H₈ (cyclobutane)