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	hartrees
Energy at 0K	-156.884654
Energy at 298.15K	-156.893856
HF Energy	-156.150161
Nuclear repulsion energy	127.328191

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3122	2983	0.00
2	A₁	3083	2946	0.00
3	A₁	1543	1474	0.00
4	A₁	1195	1142	0.00
5	A₁	1038	992	0.00
6	A₁	227	216	0.00
7	A₂	1274	1217	0.00
8	A₂	970	927	0.00
9	B₁	1276	1219	0.00
10	B₁	1185	1133	0.00
11	B₁	957	914	0.00
12	B₂	3149	3008	88.63
13	B₂	3077	2940	15.57
14	B₂	1508	1441	4.02
15	B₂	917	876	0.07
16	B₂	629	601	1.72
17	E	3133	2993	25.80
17	E	3133	2993	25.80
18	E	3078	2941	64.51
18	E	3078	2941	64.51
19	E	1502	1436	0.56
19	E	1502	1436	0.56
20	E	1309	1250	1.43
20	E	1309	1250	1.43
21	E	1268	1212	0.14
21	E	1268	1212	0.14
22	E	930	888	2.51
22	E	930	888	2.51
23	E	763	729	0.21
23	E	763	729	0.21

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	1.077	0.142
C2	0.000	-1.077	0.142
C3	-1.077	0.000	-0.142
C4	1.077	0.000	-0.142
H5	0.000	1.363	1.194
H6	0.000	1.977	-0.470
H7	0.000	-1.363	1.194
H8	0.000	-1.977	-0.470
H9	-1.363	0.000	-1.194
H10	-1.977	0.000	0.470
H11	1.363	0.000	-1.194
H12	1.977	0.000	0.470

	C1	C2	C3	C4	H5	H6	H7	H8	H9	H10	H11	H12
C1		2.1537	1.5490	1.5490	1.0903	1.0885	2.6569	3.1147	2.1908	2.2753	2.1908	2.2753
C2	2.1537		1.5490	1.5490	2.6569	3.1147	1.0903	1.0885	2.1908	2.2753	2.1908	2.2753
C3	1.5490	1.5490		2.1537	2.1908	2.2753	2.1908	2.2753	1.0903	1.0885	2.6569	3.1147
C4	1.5490	1.5490	2.1537		2.1908	2.2753	2.1908	2.2753	2.6569	3.1147	1.0903	1.0885
H5	1.0903	2.6569	2.1908	2.1908		1.7736	2.7258	3.7316	3.0682	2.5080	3.0682	2.5080
H6	1.0885	3.1147	2.2753	2.2753	1.7736		3.7316	3.9545	2.5080	2.9501	2.5080	2.9501
H7	2.6569	1.0903	2.1908	2.1908	2.7258	3.7316		1.7736	3.0682	2.5080	3.0682	2.5080
H8	3.1147	1.0885	2.2753	2.2753	3.7316	3.9545	1.7736		2.5080	2.9501	2.5080	2.9501
H9	2.1908	2.1908	1.0903	2.6569	3.0682	2.5080	3.0682	2.5080		1.7736	2.7258	3.7316
H10	2.2753	2.2753	1.0885	3.1147	2.5080	2.9501	2.5080	2.9501	1.7736		3.7316	3.9545
H11	2.1908	2.1908	2.6569	1.0903	3.0682	2.5080	3.0682	2.5080	2.7258	3.7316		1.7736
H12	2.2753	2.2753	3.1147	1.0885	2.5080	2.9501	2.5080	2.9501	3.7316	3.9545	1.7736

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C2	88.087	C1	C3	H9	111.020
C1	C3	H10	118.189	C1	C4	C2	88.087
C1	C4	H11	111.020	C1	C4	H12	118.189
C2	C3	H9	111.020	C2	C3	H10	118.189
C2	C4	H11	111.020	C2	C4	H12	118.189
C3	C1	C4	88.087	C3	C1	H5	111.020
C3	C1	H6	118.189	C3	C2	C4	88.087
C3	C2	H7	111.020	C3	C2	H8	118.189
C4	C1	H5	111.020	C4	C1	H6	118.189
C4	C2	H7	111.020	C4	C2	H8	118.189
H5	C1	H6	108.982	H7	C2	H8	108.982
H9	C3	H10	108.982	H11	C4	H12	108.982

All results from a given calculation for C₄H₈ (cyclobutane)

using model chemistry: QCISD/cc-pVTZ

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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All results from a given calculation for C4H8 (cyclobutane)

using model chemistry: QCISD/cc-pVTZ

States and conformations

All results from a given calculation for C₄H₈ (cyclobutane)