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	hartrees
Energy at 0K	-157.040627
Energy at 298.15K	-157.049798
HF Energy	-156.857410
Nuclear repulsion energy	127.005559

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3111	3111	0.00
2	A₁	3080	3080	0.00
3	A₁	1555	1555	0.00
4	A₁	1196	1196	0.00
5	A₁	1032	1032	0.00
6	A₁	216	216	0.00
7	A₂	1267	1267	0.00
8	A₂	977	977	0.00
9	B₁	1277	1277	0.00
10	B₁	1182	1182	0.00
11	B₁	955	955	0.00
12	B₂	3144	3144	122.69
13	B₂	3071	3071	11.06
14	B₂	1521	1521	4.90
15	B₂	906	906	0.00
16	B₂	641	641	2.63
17	E	3126	3126	22.80
17	E	3126	3126	22.80
18	E	3073	3073	88.03
18	E	3073	3073	88.03
19	E	1514	1514	1.23
19	E	1514	1514	1.23
20	E	1307	1307	2.29
20	E	1307	1307	2.29
21	E	1267	1267	0.63
21	E	1267	1267	0.63
22	E	927	927	3.32
22	E	927	927	3.32
23	E	766	766	0.34
23	E	766	766	0.34

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	1.081	0.132
C2	0.000	-1.081	0.132
C3	-1.081	0.000	-0.132
C4	1.081	0.000	-0.132
H5	0.000	1.397	1.178
H6	0.000	1.971	-0.499
H7	0.000	-1.397	1.178
H8	0.000	-1.971	-0.499
H9	-1.397	0.000	-1.178
H10	-1.971	0.000	0.499
H11	1.397	0.000	-1.178
H12	1.971	0.000	0.499

	C1	C2	C3	C4	H5	H6	H7	H8	H9	H10	H11	H12
C1		2.1616	1.5512	1.5512	1.0924	1.0915	2.6892	3.1164	2.1993	2.2775	2.1993	2.2775
C2	2.1616		1.5512	1.5512	2.6892	3.1164	1.0924	1.0915	2.1993	2.2775	2.1993	2.2775
C3	1.5512	1.5512		2.1616	2.1993	2.2775	2.1993	2.2775	1.0924	1.0915	2.6892	3.1164
C4	1.5512	1.5512	2.1616		2.1993	2.2775	2.1993	2.2775	2.6892	3.1164	1.0924	1.0915
H5	1.0924	2.6892	2.1993	2.1993		1.7729	2.7934	3.7623	3.0748	2.5093	3.0748	2.5093
H6	1.0915	3.1164	2.2775	2.2775	1.7729		3.7623	3.9418	2.5093	2.9607	2.5093	2.9607
H7	2.6892	1.0924	2.1993	2.1993	2.7934	3.7623		1.7729	3.0748	2.5093	3.0748	2.5093
H8	3.1164	1.0915	2.2775	2.2775	3.7623	3.9418	1.7729		2.5093	2.9607	2.5093	2.9607
H9	2.1993	2.1993	1.0924	2.6892	3.0748	2.5093	3.0748	2.5093		1.7729	2.7934	3.7623
H10	2.2775	2.2775	1.0915	3.1164	2.5093	2.9607	2.5093	2.9607	1.7729		3.7623	3.9418
H11	2.1993	2.1993	2.6892	1.0924	3.0748	2.5093	3.0748	2.5093	2.7934	3.7623		1.7729
H12	2.2775	2.2775	3.1164	1.0915	2.5093	2.9607	2.5093	2.9607	3.7623	3.9418	1.7729

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C2	88.328	C1	C3	H9	111.408
C1	C3	H10	117.992	C1	C4	C2	88.328
C1	C4	H11	111.408	C1	C4	H12	117.992
C2	C3	H9	111.408	C2	C3	H10	117.992
C2	C4	H11	111.408	C2	C4	H12	117.992
C3	C1	C4	88.328	C3	C1	H5	111.408
C3	C1	H6	117.992	C3	C2	C4	88.328
C3	C2	H7	111.408	C3	C2	H8	117.992
C4	C1	H5	111.408	C4	C1	H6	117.992
C4	C2	H7	111.408	C4	C2	H8	117.992
H5	C1	H6	108.549	H7	C2	H8	108.549
H9	C3	H10	108.549	H11	C4	H12	108.549

All results from a given calculation for C₄H₈ (cyclobutane)

using model chemistry: B2PLYP/6-311G*

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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Number	Element	Mulliken
1	C	-0.416
2	C	-0.416
3	C	-0.416
4	C	-0.416
5	H	0.209
6	H	0.207
7	H	0.209
8	H	0.207
9	H	0.209
10	H	0.207
11	H	0.209
12	H	0.207

<r²>	75.306
(<r²>)^1/2	8.678

All results from a given calculation for C4H8 (cyclobutane)

using model chemistry: B2PLYP/6-311G*

States and conformations

All results from a given calculation for C₄H₈ (cyclobutane)