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	hartrees
Energy at 0K	-156.109731
Energy at 298.15K	-156.119066
HF Energy	-156.109731
Nuclear repulsion energy	127.561539

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3241	2925	0.00
2	A₁	3214	2901	0.00
3	A₁	1660	1498	0.00
4	A₁	1286	1161	0.00
5	A₁	1080	975	0.00
6	A₁	205	185	0.00
7	A₂	1383	1249	0.00
8	A₂	1041	940	0.00
9	B₁	1387	1252	0.00
10	B₁	1284	1159	0.00
11	B₁	1014	915	0.00
12	B₂	3272	2954	144.87
13	B₂	3201	2889	12.68
14	B₂	1616	1458	2.90
15	B₂	963	869	0.18
16	B₂	684	618	1.80
17	E	3253	2936	25.45
17	E	3253	2936	25.45
18	E	3204	2892	99.37
18	E	3204	2892	99.37
19	E	1616	1458	0.04
19	E	1616	1458	0.04
20	E	1430	1290	0.25
20	E	1430	1290	0.25
21	E	1361	1228	0.03
21	E	1361	1228	0.03
22	E	986	890	2.80
22	E	986	890	2.80
23	E	812	733	0.27
23	E	812	733	0.27

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	1.078	0.125
C2	0.000	-1.078	0.125
C3	-1.078	0.000	-0.125
C4	1.078	0.000	-0.125
H5	0.000	1.411	1.158
H6	0.000	1.951	-0.518
H7	0.000	-1.411	1.158
H8	0.000	-1.951	-0.518
H9	-1.411	0.000	-1.158
H10	-1.951	0.000	0.518
H11	1.411	0.000	-1.158
H12	1.951	0.000	0.518

	C1	C2	C3	C4	H5	H6	H7	H8	H9	H10	H11	H12
C1		2.1559	1.5449	1.5449	1.0854	1.0844	2.6951	3.0966	2.1910	2.2634	2.1910	2.2634
C2	2.1559		1.5449	1.5449	2.6951	3.0966	1.0854	1.0844	2.1910	2.2634	2.1910	2.2634
C3	1.5449	1.5449		2.1559	2.1910	2.2634	2.1910	2.2634	1.0854	1.0844	2.6951	3.0966
C4	1.5449	1.5449	2.1559		2.1910	2.2634	2.1910	2.2634	2.6951	3.0966	1.0854	1.0844
H5	1.0854	2.6951	2.1910	2.1910		1.7607	2.8227	3.7570	3.0574	2.4917	3.0574	2.4917
H6	1.0844	3.0966	2.2634	2.2634	1.7607		3.7570	3.9022	2.4917	2.9473	2.4917	2.9473
H7	2.6951	1.0854	2.1910	2.1910	2.8227	3.7570		1.7607	3.0574	2.4917	3.0574	2.4917
H8	3.0966	1.0844	2.2634	2.2634	3.7570	3.9022	1.7607		2.4917	2.9473	2.4917	2.9473
H9	2.1910	2.1910	1.0854	2.6951	3.0574	2.4917	3.0574	2.4917		1.7607	2.8227	3.7570
H10	2.2634	2.2634	1.0844	3.0966	2.4917	2.9473	2.4917	2.9473	1.7607		3.7570	3.9022
H11	2.1910	2.1910	2.6951	1.0854	3.0574	2.4917	3.0574	2.4917	2.8227	3.7570		1.7607
H12	2.2634	2.2634	3.0966	1.0844	2.4917	2.9473	2.4917	2.9473	3.7570	3.9022	1.7607

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C2	88.497	C1	C3	H9	111.620
C1	C3	H10	117.763	C1	C4	C2	88.497
C1	C4	H11	111.620	C1	C4	H12	117.763
C2	C3	H9	111.620	C2	C3	H10	117.763
C2	C4	H11	111.620	C2	C4	H12	117.763
C3	C1	C4	88.497	C3	C1	H5	111.620
C3	C1	H6	117.763	C3	C2	C4	88.497
C3	C2	H7	111.620	C3	C2	H8	117.763
C4	C1	H5	111.620	C4	C1	H6	117.763
C4	C2	H7	111.620	C4	C2	H8	117.763
H5	C1	H6	108.482	H7	C2	H8	108.482
H9	C3	H10	108.482	H11	C4	H12	108.482

All results from a given calculation for C₄H₈ (cyclobutane)

using model chemistry: HF/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	-0.229
2	C	-0.229
3	C	-0.229
4	C	-0.229
5	H	0.117
6	H	0.113
7	H	0.117
8	H	0.113
9	H	0.117
10	H	0.113
11	H	0.117
12	H	0.113

<r²>	74.632
(<r²>)^1/2	8.639

All results from a given calculation for C4H8 (cyclobutane)

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

States and conformations

All results from a given calculation for C₄H₈ (cyclobutane)