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	hartrees
Energy at 0K	-155.348993
Energy at 298.15K	-155.357848
HF Energy	-155.348993
Nuclear repulsion energy	124.972698

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3466	3093	0.00
2	A₁	3358	2997	0.00
3	A₁	1679	1498	0.00
4	A₁	1261	1125	0.00
5	A₁	1095	977	0.00
6	A₁	76	68	0.00
7	A₂	1375	1227	0.00
8	A₂	1067	952	0.00
9	B₁	1369	1222	0.00
10	B₁	1319	1177	0.00
11	B₁	1077	961	0.00
12	B₂	3481	3107	8.06
13	B₂	3350	2989	0.07
14	B₂	1653	1475	0.09
15	B₂	867	774	0.49
16	B₂	758	677	4.10
17	E	3472	3099	0.17
17	E	3472	3099	0.17
18	E	3351	2991	5.18
18	E	3351	2991	5.18
19	E	1653	1475	0.02
19	E	1653	1475	0.02
20	E	1434	1279	0.11
20	E	1434	1279	0.11
21	E	1349	1204	0.01
21	E	1349	1204	0.01
22	E	1017	908	0.34
22	E	1017	908	0.34
23	E	814	726	0.15
23	E	814	726	0.15

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	1.111	0.046
C2	0.000	-1.111	0.046
C3	-1.111	0.000	-0.046
C4	1.111	0.000	-0.046
H5	0.000	1.647	1.009
H6	0.000	1.847	-0.773
H7	0.000	-1.647	1.009
H8	0.000	-1.847	-0.773
H9	-1.647	0.000	-1.009
H10	-1.847	0.000	0.773
H11	1.647	0.000	-1.009
H12	1.847	0.000	0.773

	C1	C2	C3	C4	H5	H6	H7	H8	H9	H10	H11	H12
C1		2.2220	1.5739	1.5739	1.1017	1.1018	2.9211	3.0697	2.2495	2.2749	2.2495	2.2749
C2	2.2220		1.5739	1.5739	2.9211	3.0697	1.1017	1.1018	2.2495	2.2749	2.2495	2.2749
C3	1.5739	1.5739		2.2220	2.2495	2.2749	2.2495	2.2749	1.1017	1.1018	2.9211	3.0697
C4	1.5739	1.5739	2.2220		2.2495	2.2749	2.2495	2.2749	2.9211	3.0697	1.1017	1.1018
H5	1.1017	2.9211	2.2495	2.2495		1.7935	3.2938	3.9225	3.0817	2.4860	3.0817	2.4860
H6	1.1018	3.0697	2.2749	2.2749	1.7935		3.9225	3.6945	2.4860	3.0359	2.4860	3.0359
H7	2.9211	1.1017	2.2495	2.2495	3.2938	3.9225		1.7935	3.0817	2.4860	3.0817	2.4860
H8	3.0697	1.1018	2.2749	2.2749	3.9225	3.6945	1.7935		2.4860	3.0359	2.4860	3.0359
H9	2.2495	2.2495	1.1017	2.9211	3.0817	2.4860	3.0817	2.4860		1.7935	3.2938	3.9225
H10	2.2749	2.2749	1.1018	3.0697	2.4860	3.0359	2.4860	3.0359	1.7935		3.9225	3.6945
H11	2.2495	2.2495	2.9211	1.1017	3.0817	2.4860	3.0817	2.4860	3.2938	3.9225		1.7935
H12	2.2749	2.2749	3.0697	1.1018	2.4860	3.0359	2.4860	3.0359	3.9225	3.6945	1.7935

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C2	89.801	C1	C3	H9	113.257
C1	C3	H10	115.331	C1	C4	C2	89.801
C1	C4	H11	113.257	C1	C4	H12	115.331
C2	C3	H9	113.257	C2	C3	H10	115.331
C2	C4	H11	113.257	C2	C4	H12	115.331
C3	C1	C4	89.801	C3	C1	H5	113.257
C3	C1	H6	115.331	C3	C2	C4	89.801
C3	C2	H7	113.257	C3	C2	H8	115.331
C4	C1	H5	113.257	C4	C1	H6	115.331
C4	C2	H7	113.257	C4	C2	H8	115.331
H5	C1	H6	108.964	H7	C2	H8	108.964
H9	C3	H10	108.964	H11	C4	H12	108.964

All results from a given calculation for C₄H₈ (cyclobutane)

using model chemistry: B3LYP/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	-0.137
2	C	-0.137
3	C	-0.137
4	C	-0.137
5	H	0.069
6	H	0.068
7	H	0.069
8	H	0.068
9	H	0.069
10	H	0.068
11	H	0.069
12	H	0.068

<r²>	76.140
(<r²>)^1/2	8.726

All results from a given calculation for C4H8 (cyclobutane)

using model chemistry: B3LYP/STO-3G

States and conformations

All results from a given calculation for C₄H₈ (cyclobutane)