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	hartrees
Energy at 0K	-156.743332
Energy at 298.15K	-156.752611
HF Energy	-156.145345
Nuclear repulsion energy	127.666669

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3159	2995	0.00
2	A₁	3109	2947	0.00
3	A₁	1547	1466	0.00
4	A₁	1202	1140	0.00
5	A₁	1047	992	0.00
6	A₁	277	262	0.00
7	A₂	1264	1198	0.00
8	A₂	968	918	0.00
9	B₁	1276	1209	0.00
10	B₁	1154	1094	0.00
11	B₁	954	904	0.00
12	B₂	3187	3021	80.79
13	B₂	3104	2943	14.23
14	B₂	1515	1436	4.79
15	B₂	939	890	0.07
16	B₂	633	600	1.59
17	E	3172	3007	25.08
17	E	3172	3007	25.08
18	E	3105	2944	64.80
18	E	3105	2944	64.80
19	E	1508	1429	0.41
19	E	1508	1429	0.41
20	E	1309	1241	3.27
20	E	1309	1241	3.27
21	E	1264	1198	0.20
21	E	1264	1198	0.20
22	E	933	885	3.16
22	E	933	885	3.16
23	E	777	736	0.19
23	E	777	736	0.19

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	1.089	0.062
C2	0.000	-1.089	0.062
C3	1.089	0.000	-0.062
C4	-1.089	0.000	-0.062
H5	0.000	1.812	-0.757
H6	0.000	1.643	0.999
H7	0.000	-1.812	-0.757
H8	0.000	-1.643	0.999
H9	1.812	0.000	0.757
H10	1.643	0.000	-0.999
H11	-1.812	0.000	0.757
H12	-1.643	0.000	-0.999

	C1	C2	C3	C4	H5	H6	H7	H8	H9	H10	H11	H12
C1		2.1786	1.5455	1.5455	1.0928	1.0878	3.0148	2.8885	2.2254	2.2389	2.2254	2.2389
C2	2.1786		1.5455	1.5455	3.0148	2.8885	1.0928	1.0878	2.2254	2.2389	2.2254	2.2389
C3	1.5455	1.5455		2.1786	2.2254	2.2389	2.2254	2.2389	1.0928	1.0878	3.0148	2.8885
C4	1.5455	1.5455	2.1786		2.2254	2.2389	2.2254	2.2389	3.0148	2.8885	1.0928	1.0878
H5	1.0928	3.0148	2.2254	2.2254		1.7639	3.6239	3.8758	2.9766	2.4580	2.9766	2.4580
H6	1.0878	2.8885	2.2389	2.2389	1.7639		3.8758	3.2867	2.4580	3.0642	2.4580	3.0642
H7	3.0148	1.0928	2.2254	2.2254	3.6239	3.8758		1.7639	2.9766	2.4580	2.9766	2.4580
H8	2.8885	1.0878	2.2389	2.2389	3.8758	3.2867	1.7639		2.4580	3.0642	2.4580	3.0642
H9	2.2254	2.2254	1.0928	3.0148	2.9766	2.4580	2.9766	2.4580		1.7639	3.6239	3.8758
H10	2.2389	2.2389	1.0878	2.8885	2.4580	3.0642	2.4580	3.0642	1.7639		3.8758	3.2867
H11	2.2254	2.2254	3.0148	1.0928	2.9766	2.4580	2.9766	2.4580	3.6239	3.8758		1.7639
H12	2.2389	2.2389	2.8885	1.0878	2.4580	3.0642	2.4580	3.0642	3.8758	3.2867	1.7639

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C2	89.626	C1	C3	H9	113.923
C1	C3	H10	115.371	C1	C4	C2	89.626
C1	C4	H11	113.923	C1	C4	H12	115.371
C2	C3	H9	113.923	C2	C3	H10	115.371
C2	C4	H11	113.923	C2	C4	H12	115.371
C3	C1	C4	89.626	C3	C1	H5	113.923
C3	C1	H6	115.371	C3	C2	C4	89.626
C3	C2	H7	113.923	C3	C2	H8	115.371
C4	C1	H5	113.923	C4	C1	H6	115.371
C4	C2	H7	113.923	C4	C2	H8	115.371
H5	C1	H6	107.981	H7	C2	H8	107.981
H9	C3	H10	107.981	H11	C4	H12	107.981

All results from a given calculation for C₄H₈ (cyclobutane)

using model chemistry: MP2/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: MP2/TZVP

States and conformations

All results from a given calculation for C₄H₈ (cyclobutane)