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	hartrees
Energy at 0K	-156.360123
Energy at 298.15K	-156.369189
HF Energy	-156.360123
Nuclear repulsion energy	125.531282

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3127	3018	0.00
2	A₁	3094	2985	0.00
3	A₁	1562	1507	0.00
4	A₁	1175	1134	0.00
5	A₁	985	950	0.00
6	A₁	165	159	0.00
7	A₂	1292	1246	0.00
8	A₂	1011	975	0.00
9	B₁	1284	1239	0.00
10	B₁	1182	1141	0.00
11	B₁	918	886	0.00
12	B₂	3162	3051	74.68
13	B₂	3085	2977	6.29
14	B₂	1537	1483	3.92
15	B₂	891	860	0.22
16	B₂	652	629	4.32
17	E	3142	3032	10.82
17	E	3142	3032	10.82
18	E	3086	2977	61.31
18	E	3086	2977	61.31
19	E	1531	1477	2.56
19	E	1531	1477	2.56
20	E	1308	1262	2.47
20	E	1308	1262	2.47
21	E	1262	1217	2.08
21	E	1262	1217	2.08
22	E	889	857	3.28
22	E	889	857	3.28
23	E	756	730	0.24
23	E	756	730	0.24

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	1.103	0.115
C2	0.000	-1.103	0.115
C3	-1.103	0.000	-0.115
C4	1.103	0.000	-0.115
H5	0.000	1.453	1.151
H6	0.000	1.955	-0.567
H7	0.000	-1.453	1.151
H8	0.000	-1.955	-0.567
H9	-1.453	0.000	-1.151
H10	-1.955	0.000	0.567
H11	1.453	0.000	-1.151
H12	1.955	0.000	0.567

	C1	C2	C3	C4	H5	H6	H7	H8	H9	H10	H11	H12
C1		2.2051	1.5761	1.5761	1.0933	1.0915	2.7574	3.1325	2.2200	2.2893	2.2200	2.2893
C2	2.2051		1.5761	1.5761	2.7574	3.1325	1.0933	1.0915	2.2200	2.2893	2.2200	2.2893
C3	1.5761	1.5761		2.2051	2.2200	2.2893	2.2200	2.2893	1.0933	1.0915	2.7574	3.1325
C4	1.5761	1.5761	2.2051		2.2200	2.2893	2.2200	2.2893	2.7574	3.1325	1.0933	1.0915
H5	1.0933	2.7574	2.2200	2.2200		1.7895	2.9059	3.8161	3.0851	2.5045	3.0851	2.5045
H6	1.0915	3.1325	2.2893	2.2893	1.7895		3.8161	3.9095	2.5045	2.9880	2.5045	2.9880
H7	2.7574	1.0933	2.2200	2.2200	2.9059	3.8161		1.7895	3.0851	2.5045	3.0851	2.5045
H8	3.1325	1.0915	2.2893	2.2893	3.8161	3.9095	1.7895		2.5045	2.9880	2.5045	2.9880
H9	2.2200	2.2200	1.0933	2.7574	3.0851	2.5045	3.0851	2.5045		1.7895	2.9059	3.8161
H10	2.2893	2.2893	1.0915	3.1325	2.5045	2.9880	2.5045	2.9880	1.7895		3.8161	3.9095
H11	2.2200	2.2200	2.7574	1.0933	3.0851	2.5045	3.0851	2.5045	2.9059	3.8161		1.7895
H12	2.2893	2.2893	3.1325	1.0915	2.5045	2.9880	2.5045	2.9880	3.8161	3.9095	1.7895

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C2	88.780	C1	C3	H9	111.248
C1	C3	H10	117.062	C1	C4	C2	88.780
C1	C4	H11	111.248	C1	C4	H12	117.062
C2	C3	H9	111.248	C2	C3	H10	117.062
C2	C4	H11	111.248	C2	C4	H12	117.062
C3	C1	C4	88.780	C3	C1	H5	111.248
C3	C1	H6	117.062	C3	C2	C4	88.780
C3	C2	H7	111.248	C3	C2	H8	117.062
C4	C1	H5	111.248	C4	C1	H6	117.062
C4	C2	H7	111.248	C4	C2	H8	117.062
H5	C1	H6	109.983	H7	C2	H8	109.983
H9	C3	H10	109.983	H11	C4	H12	109.983

All results from a given calculation for C₄H₈ (cyclobutane)

using model chemistry: B3LYP/3-21G

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	-0.375
2	C	-0.375
3	C	-0.375
4	C	-0.375
5	H	0.193
6	H	0.182
7	H	0.193
8	H	0.182
9	H	0.193
10	H	0.182
11	H	0.193
12	H	0.182

<r²>	76.423
(<r²>)^1/2	8.742

All results from a given calculation for C4H8 (cyclobutane)

using model chemistry: B3LYP/3-21G

States and conformations

All results from a given calculation for C₄H₈ (cyclobutane)