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	hartrees
Energy at 0K	-157.127106
Energy at 298.15K	-157.136279
HF Energy	-156.883486
Nuclear repulsion energy	127.480609

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3112	2974	0.00
2	A₁	3079	2943	0.00
3	A₁	1537	1469	0.00
4	A₁	1188	1135	0.00
5	A₁	1028	982	0.00
6	A₁	216	206	0.00
7	A₂	1270	1214	0.00
8	A₂	970	927	0.00
9	B₁	1269	1213	0.00
10	B₁	1177	1125	0.00
11	B₁	949	907	0.00
12	B₂	3140	3002	93.02
13	B₂	3075	2939	12.68
14	B₂	1507	1440	4.03
15	B₂	906	866	0.01
16	B₂	633	605	2.27
17	E	3124	2986	24.84
17	E	3124	2986	24.84
18	E	3075	2939	72.49
18	E	3075	2939	72.49
19	E	1499	1432	0.81
19	E	1499	1432	0.81
20	E	1298	1241	1.57
20	E	1298	1241	1.57
21	E	1261	1206	0.36
21	E	1261	1206	0.36
22	E	923	882	2.50
22	E	923	882	2.50
23	E	761	728	0.25
23	E	761	728	0.25

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	1.077	0.136
C2	0.000	-1.077	0.136
C3	-1.077	0.000	-0.136
C4	1.077	0.000	-0.136
H5	0.000	1.378	1.181
H6	0.000	1.969	-0.485
H7	0.000	-1.378	1.181
H8	0.000	-1.969	-0.485
H9	-1.378	0.000	-1.181
H10	-1.969	0.000	0.485
H11	1.378	0.000	-1.181
H12	1.969	0.000	0.485

	C1	C2	C3	C4	H5	H6	H7	H8	H9	H10	H11	H12
C1		2.1533	1.5466	1.5466	1.0880	1.0866	2.6678	3.1078	2.1891	2.2707	2.1891	2.2707
C2	2.1533		1.5466	1.5466	2.6678	3.1078	1.0880	1.0866	2.1891	2.2707	2.1891	2.2707
C3	1.5466	1.5466		2.1533	2.1891	2.2707	2.1891	2.2707	1.0880	1.0866	2.6678	3.1078
C4	1.5466	1.5466	2.1533		2.1891	2.2707	2.1891	2.2707	2.6678	3.1078	1.0880	1.0866
H5	1.0880	2.6678	2.1891	2.1891		1.7677	2.7555	3.7381	3.0624	2.5017	3.0624	2.5017
H6	1.0866	3.1078	2.2707	2.2707	1.7677		3.7381	3.9371	2.5017	2.9479	2.5017	2.9479
H7	2.6678	1.0880	2.1891	2.1891	2.7555	3.7381		1.7677	3.0624	2.5017	3.0624	2.5017
H8	3.1078	1.0866	2.2707	2.2707	3.7381	3.9371	1.7677		2.5017	2.9479	2.5017	2.9479
H9	2.1891	2.1891	1.0880	2.6678	3.0624	2.5017	3.0624	2.5017		1.7677	2.7555	3.7381
H10	2.2707	2.2707	1.0866	3.1078	2.5017	2.9479	2.5017	2.9479	1.7677		3.7381	3.9371
H11	2.1891	2.1891	2.6678	1.0880	3.0624	2.5017	3.0624	2.5017	2.7555	3.7381		1.7677
H12	2.2707	2.2707	3.1078	1.0866	2.5017	2.9479	2.5017	2.9479	3.7381	3.9371	1.7677

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C2	88.232	C1	C3	H9	111.188
C1	C3	H10	118.105	C1	C4	C2	88.232
C1	C4	H11	111.188	C1	C4	H12	118.105
C2	C3	H9	111.188	C2	C3	H10	118.105
C2	C4	H11	111.188	C2	C4	H12	118.105
C3	C1	C4	88.232	C3	C1	H5	111.188
C3	C1	H6	118.105	C3	C2	C4	88.232
C3	C2	H7	111.188	C3	C2	H8	118.105
C4	C1	H5	111.188	C4	C1	H6	118.105
C4	C2	H7	111.188	C4	C2	H8	118.105
H5	C1	H6	108.763	H7	C2	H8	108.763
H9	C3	H10	108.763	H11	C4	H12	108.763

All results from a given calculation for C₄H₈ (cyclobutane)

using model chemistry: B2PLYP=FULL/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: B2PLYP=FULL/cc-pVTZ

States and conformations

All results from a given calculation for C₄H₈ (cyclobutane)