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	hartrees
Energy at 0K	-157.038935
Energy at 298.15K	-157.048111
HF Energy	-156.843797
Nuclear repulsion energy	127.113049

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3134	2980	0.00
2	A₁	3098	2946	0.00
3	A₁	1551	1475	0.00
4	A₁	1195	1137	0.00
5	A₁	1031	981	0.00
6	A₁	221	210	0.00
7	A₂	1272	1209	0.00
8	A₂	969	922	0.00
9	B₁	1276	1213	0.00
10	B₁	1180	1122	0.00
11	B₁	956	909	0.00
12	B₂	3164	3009	105.38
13	B₂	3089	2938	13.53
14	B₂	1515	1441	4.38
15	B₂	910	865	0.00
16	B₂	638	607	2.31
17	E	3147	2993	22.75
17	E	3147	2993	22.75
18	E	3091	2940	85.77
18	E	3091	2940	85.77
19	E	1510	1436	0.48
19	E	1510	1436	0.48
20	E	1309	1245	1.97
20	E	1309	1245	1.97
21	E	1262	1200	0.33
21	E	1262	1200	0.33
22	E	929	883	3.11
22	E	929	883	3.11
23	E	768	730	0.33
23	E	768	730	0.33

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	1.080	0.135
C2	0.000	-1.080	0.135
C3	-1.080	0.000	-0.135
C4	1.080	0.000	-0.135
H5	0.000	1.395	1.181
H6	0.000	1.970	-0.497
H7	0.000	-1.395	1.181
H8	0.000	-1.970	-0.497
H9	-1.395	0.000	-1.181
H10	-1.970	0.000	0.497
H11	1.395	0.000	-1.181
H12	1.970	0.000	0.497

	C1	C2	C3	C4	H5	H6	H7	H8	H9	H10	H11	H12
C1		2.1597	1.5508	1.5508	1.0925	1.0917	2.6868	3.1146	2.2008	2.2755	2.2008	2.2755
C2	2.1597		1.5508	1.5508	2.6868	3.1146	1.0925	1.0917	2.2008	2.2755	2.2008	2.2755
C3	1.5508	1.5508		2.1597	2.2008	2.2755	2.2008	2.2755	1.0925	1.0917	2.6868	3.1146
C4	1.5508	1.5508	2.1597		2.2008	2.2755	2.2008	2.2755	2.6868	3.1146	1.0925	1.0917
H5	1.0925	2.6868	2.2008	2.2008		1.7738	2.7901	3.7602	3.0774	2.5089	3.0774	2.5089
H6	1.0917	3.1146	2.2755	2.2755	1.7738		3.7602	3.9399	2.5089	2.9581	2.5089	2.9581
H7	2.6868	1.0925	2.2008	2.2008	2.7901	3.7602		1.7738	3.0774	2.5089	3.0774	2.5089
H8	3.1146	1.0917	2.2755	2.2755	3.7602	3.9399	1.7738		2.5089	2.9581	2.5089	2.9581
H9	2.2008	2.2008	1.0925	2.6868	3.0774	2.5089	3.0774	2.5089		1.7738	2.7901	3.7602
H10	2.2755	2.2755	1.0917	3.1146	2.5089	2.9581	2.5089	2.9581	1.7738		3.7602	3.9399
H11	2.2008	2.2008	2.6868	1.0925	3.0774	2.5089	3.0774	2.5089	2.7901	3.7602		1.7738
H12	2.2755	2.2755	3.1146	1.0917	2.5089	2.9581	2.5089	2.9581	3.7602	3.9399	1.7738

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C2	88.265	C1	C3	H9	111.562
C1	C3	H10	117.840	C1	C4	C2	88.265
C1	C4	H11	111.562	C1	C4	H12	117.840
C2	C3	H9	111.562	C2	C3	H10	117.840
C2	C4	H11	111.562	C2	C4	H12	117.840
C3	C1	C4	88.265	C3	C1	H5	111.562
C3	C1	H6	117.840	C3	C2	C4	88.265
C3	C2	H7	111.562	C3	C2	H8	117.840
C4	C1	H5	111.562	C4	C1	H6	117.840
C4	C2	H7	111.562	C4	C2	H8	117.840
H5	C1	H6	108.609	H7	C2	H8	108.609
H9	C3	H10	108.609	H11	C4	H12	108.609

All results from a given calculation for C₄H₈ (cyclobutane)

using model chemistry: B2PLYP=FULL/6-31+G**

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/6-31+G**

States and conformations

All results from a given calculation for C₄H₈ (cyclobutane)