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	hartrees
Energy at 0K	-156.714648
Energy at 298.15K	-156.723842
HF Energy	-156.112042
Nuclear repulsion energy	126.692426

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3150	3053	0.00
2	A₁	3096	3001	0.00
3	A₁	1519	1472	0.00
4	A₁	1170	1134	0.00
5	A₁	1041	1009	0.00
6	A₁	250	243	0.00
7	A₂	1238	1200	0.00
8	A₂	954	924	0.00
9	B₁	1249	1211	0.00
10	B₁	1156	1120	0.00
11	B₁	952	923	0.00
12	B₂	3176	3078	78.40
13	B₂	3090	2995	16.71
14	B₂	1482	1436	4.78
15	B₂	913	885	0.08
16	B₂	618	599	1.73
17	E	3162	3065	25.64
17	E	3162	3065	25.64
18	E	3092	2996	64.73
18	E	3092	2996	64.73
19	E	1473	1428	0.60
19	E	1473	1428	0.60
20	E	1272	1233	1.59
20	E	1272	1233	1.59
21	E	1247	1208	0.38
21	E	1247	1208	0.38
22	E	923	895	2.42
22	E	923	895	2.42
23	E	755	731	0.28
23	E	755	731	0.28

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	1.079	0.152
C2	0.000	-1.079	0.152
C3	-1.079	0.000	-0.152
C4	1.079	0.000	-0.152
H5	0.000	1.335	1.223
H6	0.000	2.004	-0.441
H7	0.000	-1.335	1.223
H8	0.000	-2.004	-0.441
H9	-1.335	0.000	-1.223
H10	-2.004	0.000	0.441
H11	1.335	0.000	-1.223
H12	2.004	0.000	0.441

	C1	C2	C3	C4	H5	H6	H7	H8	H9	H10	H11	H12
C1		2.1575	1.5557	1.5557	1.1007	1.0992	2.6403	3.1392	2.1992	2.2940	2.1992	2.2940
C2	2.1575		1.5557	1.5557	2.6403	3.1392	1.1007	1.0992	2.1992	2.2940	2.1992	2.2940
C3	1.5557	1.5557		2.1575	2.1992	2.2940	2.1992	2.2940	1.1007	1.0992	2.6403	3.1392
C4	1.5557	1.5557	2.1575		2.1992	2.2940	2.1992	2.2940	2.6403	3.1392	1.1007	1.0992
H5	1.1007	2.6403	2.1992	2.1992		1.7936	2.6696	3.7304	3.0895	2.5313	3.0895	2.5313
H6	1.0992	3.1392	2.2940	2.2940	1.7936		3.7304	4.0076	2.5313	2.9680	2.5313	2.9680
H7	2.6403	1.1007	2.1992	2.1992	2.6696	3.7304		1.7936	3.0895	2.5313	3.0895	2.5313
H8	3.1392	1.0992	2.2940	2.2940	3.7304	4.0076	1.7936		2.5313	2.9680	2.5313	2.9680
H9	2.1992	2.1992	1.1007	2.6403	3.0895	2.5313	3.0895	2.5313		1.7936	2.6696	3.7304
H10	2.2940	2.2940	1.0992	3.1392	2.5313	2.9680	2.5313	2.9680	1.7936		3.7304	4.0076
H11	2.1992	2.1992	2.6403	1.1007	3.0895	2.5313	3.0895	2.5313	2.6696	3.7304		1.7936
H12	2.2940	2.2940	3.1392	1.0992	2.5313	2.9680	2.5313	2.9680	3.7304	4.0076	1.7936

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C2	87.800	C1	C3	H9	110.601
C1	C3	H10	118.539	C1	C4	C2	87.800
C1	C4	H11	110.601	C1	C4	H12	118.539
C2	C3	H9	110.601	C2	C3	H10	118.539
C2	C4	H11	110.601	C2	C4	H12	118.539
C3	C1	C4	87.800	C3	C1	H5	110.601
C3	C1	H6	118.539	C3	C2	C4	87.800
C3	C2	H7	110.601	C3	C2	H8	118.539
C4	C1	H5	110.601	C4	C1	H6	118.539
C4	C2	H7	110.601	C4	C2	H8	118.539
H5	C1	H6	109.238	H7	C2	H8	109.238
H9	C3	H10	109.238	H11	C4	H12	109.238

All results from a given calculation for C₄H₈ (cyclobutane)

using model chemistry: MP2=FULL/aug-cc-pVDZ

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=FULL/aug-cc-pVDZ

States and conformations

All results from a given calculation for C₄H₈ (cyclobutane)