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	hartrees
Energy at 0K	-27.352291
Energy at 298.15K	-27.361343
HF Energy	-27.352291
Nuclear repulsion energy	70.694305

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3053	2975	0.00
2	A₁	3023	2946	0.00
3	A₁	1532	1493	0.00
4	A₁	1177	1147	0.00
5	A₁	1000	975	0.00
6	A₁	143	140	0.00
7	A₂	1271	1239	0.00
8	A₂	964	940	0.00
9	B₁	1256	1224	0.00
10	B₁	1174	1144	0.00
11	B₁	955	931	0.00
12	B₂	3095	3016	178.24
13	B₂	3003	2926	11.00
14	B₂	1505	1467	2.73
15	B₂	868	846	0.28
16	B₂	654	637	3.66
17	E	3070	2992	20.62
17	E	3070	2992	20.63
18	E	3008	2931	126.15
18	E	3008	2931	126.15
19	E	1501	1462	2.11
19	E	1501	1462	2.11
20	E	1289	1256	1.57
20	E	1289	1256	1.57
21	E	1240	1209	0.17
21	E	1240	1209	0.17
22	E	908	885	5.33
22	E	908	885	5.33
23	E	759	740	0.06
23	E	759	740	0.06

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	1.104	0.108
C2	0.000	-1.104	0.108
C3	-1.104	0.000	-0.108
C4	1.104	0.000	-0.108
H5	0.000	1.495	1.134
H6	0.000	1.953	-0.587
H7	0.000	-1.495	1.134
H8	0.000	-1.953	-0.587
H9	-1.495	0.000	-1.134
H10	-1.953	0.000	0.587
H11	1.495	0.000	-1.134
H12	1.953	0.000	0.587

	C1	C2	C3	C4	H5	H6	H7	H8	H9	H10	H11	H12
C1		2.2087	1.5766	1.5766	1.0980	1.0969	2.7947	3.1355	2.2353	2.2944	2.2353	2.2944
C2	2.2087		1.5766	1.5766	2.7947	3.1355	1.0980	1.0969	2.2353	2.2944	2.2353	2.2944
C3	1.5766	1.5766		2.2087	2.2353	2.2944	2.2353	2.2944	1.0980	1.0969	2.7947	3.1355
C4	1.5766	1.5766	2.2087		2.2353	2.2944	2.2353	2.2944	2.7947	3.1355	1.0980	1.0969
H5	1.0980	2.7947	2.2353	2.2353		1.7808	2.9902	3.8539	3.1005	2.5198	3.1005	2.5198
H6	1.0969	3.1355	2.2944	2.2944	1.7808		3.8539	3.9064	2.5198	3.0014	2.5198	3.0014
H7	2.7947	1.0980	2.2353	2.2353	2.9902	3.8539		1.7808	3.1005	2.5198	3.1005	2.5198
H8	3.1355	1.0969	2.2944	2.2944	3.8539	3.9064	1.7808		2.5198	3.0014	2.5198	3.0014
H9	2.2353	2.2353	1.0980	2.7947	3.1005	2.5198	3.1005	2.5198		1.7808	2.9902	3.8539
H10	2.2944	2.2944	1.0969	3.1355	2.5198	3.0014	2.5198	3.0014	1.7808		3.8539	3.9064
H11	2.2353	2.2353	2.7947	1.0980	3.1005	2.5198	3.1005	2.5198	2.9902	3.8539		1.7808
H12	2.2944	2.2944	3.1355	1.0969	2.5198	3.0014	2.5198	3.0014	3.8539	3.9064	1.7808

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C2	88.930	C1	C3	H9	112.146
C1	C3	H10	117.099	C1	C4	C2	88.930
C1	C4	H11	112.146	C1	C4	H12	117.099
C2	C3	H9	112.146	C2	C3	H10	117.099
C2	C4	H11	112.146	C2	C4	H12	117.099
C3	C1	C4	88.930	C3	C1	H5	112.146
C3	C1	H6	117.099	C3	C2	C4	88.930
C3	C2	H7	112.146	C3	C2	H8	117.099
C4	C1	H5	112.146	C4	C1	H6	117.099
C4	C2	H7	112.146	C4	C2	H8	117.099
H5	C1	H6	108.451	H7	C2	H8	108.451
H9	C3	H10	108.451	H11	C4	H12	108.451

All results from a given calculation for C₄H₈ (cyclobutane)

using model chemistry: B3LYP/CEP-121G

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	-0.256
2	C	-0.256
3	C	-0.256
4	C	-0.256
5	H	0.127
6	H	0.130
7	H	0.127
8	H	0.130
9	H	0.127
10	H	0.130
11	H	0.127
12	H	0.130

<r²>	67.300
(<r²>)^1/2	8.204

All results from a given calculation for C4H8 (cyclobutane)

using model chemistry: B3LYP/CEP-121G

States and conformations

All results from a given calculation for C₄H₈ (cyclobutane)