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	hartrees
Energy at 0K	-156.791777
Energy at 298.15K	-156.801031
HF Energy	-156.145458
Nuclear repulsion energy	127.263162

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3128	2988	0.00
2	A₁	3088	2950	0.00
3	A₁	1553	1483	0.00
4	A₁	1210	1155	0.00
5	A₁	1038	991	0.00
6	A₁	256	245	0.00
7	A₂	1273	1216	0.00
8	A₂	971	928	0.00
9	B₁	1286	1228	0.00
10	B₁	1163	1111	0.00
11	B₁	950	908	0.00
12	B₂	3155	3014	102.73
13	B₂	3081	2943	16.41
14	B₂	1519	1451	3.42
15	B₂	935	893	0.15
16	B₂	636	608	1.20
17	E	3139	2999	29.22
17	E	3139	2999	29.22
18	E	3082	2945	69.89
18	E	3082	2945	69.89
19	E	1515	1447	0.12
19	E	1515	1447	0.12
20	E	1322	1263	1.86
20	E	1322	1263	1.86
21	E	1266	1209	0.05
21	E	1266	1209	0.05
22	E	929	888	2.62
22	E	929	888	2.62
23	E	773	738	0.10
23	E	773	738	0.10

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	1.076	0.149
C2	0.000	-1.076	0.149
C3	-1.076	0.000	-0.149
C4	1.076	0.000	-0.149
H5	0.000	1.344	1.208
H6	0.000	1.986	-0.452
H7	0.000	-1.344	1.208
H8	0.000	-1.986	-0.452
H9	-1.344	0.000	-1.208
H10	-1.986	0.000	0.452
H11	1.344	0.000	-1.208
H12	1.986	0.000	0.452

	C1	C2	C3	C4	H5	H6	H7	H8	H9	H10	H11	H12
C1		2.1513	1.5500	1.5500	1.0925	1.0910	2.6412	3.1203	2.1914	2.2791	2.1914	2.2791
C2	2.1513		1.5500	1.5500	2.6412	3.1203	1.0925	1.0910	2.1914	2.2791	2.1914	2.2791
C3	1.5500	1.5500		2.1513	2.1914	2.2791	2.1914	2.2791	1.0925	1.0910	2.6412	3.1203
C4	1.5500	1.5500	2.1513		2.1914	2.2791	2.1914	2.2791	2.6412	3.1203	1.0925	1.0910
H5	1.0925	2.6412	2.1914	2.1914		1.7799	2.6877	3.7209	3.0734	2.5143	3.0734	2.5143
H6	1.0910	3.1203	2.2791	2.2791	1.7799		3.7209	3.9725	2.5143	2.9510	2.5143	2.9510
H7	2.6412	1.0925	2.1914	2.1914	2.6877	3.7209		1.7799	3.0734	2.5143	3.0734	2.5143
H8	3.1203	1.0910	2.2791	2.2791	3.7209	3.9725	1.7799		2.5143	2.9510	2.5143	2.9510
H9	2.1914	2.1914	1.0925	2.6412	3.0734	2.5143	3.0734	2.5143		1.7799	2.6877	3.7209
H10	2.2791	2.2791	1.0910	3.1203	2.5143	2.9510	2.5143	2.9510	1.7799		3.7209	3.9725
H11	2.1914	2.1914	2.6412	1.0925	3.0734	2.5143	3.0734	2.5143	2.6877	3.7209		1.7799
H12	2.2791	2.2791	3.1203	1.0910	2.5143	2.9510	2.5143	2.9510	3.7209	3.9725	1.7799

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C2	87.893	C1	C3	H9	110.870
C1	C3	H10	118.271	C1	C4	C2	87.893
C1	C4	H11	110.870	C1	C4	H12	118.271
C2	C3	H9	110.870	C2	C3	H10	118.271
C2	C4	H11	110.870	C2	C4	H12	118.271
C3	C1	C4	87.893	C3	C1	H5	110.870
C3	C1	H6	118.271	C3	C2	C4	87.893
C3	C2	H7	110.870	C3	C2	H8	118.271
C4	C1	H5	110.870	C4	C1	H6	118.271
C4	C2	H7	110.870	C4	C2	H8	118.271
H5	C1	H6	109.208	H7	C2	H8	109.208
H9	C3	H10	109.208	H11	C4	H12	109.208

All results from a given calculation for C₄H₈ (cyclobutane)

using model chemistry: QCISD/TZVP

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/TZVP

States and conformations

All results from a given calculation for C₄H₈ (cyclobutane)