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	hartrees
Energy at 0K	-156.993403
Energy at 298.15K	-157.002437
HF Energy	-156.993403
Nuclear repulsion energy	126.468442

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3041	3000	0.00
2	A₁	3005	2964	0.00
3	A₁	1484	1464	0.00
4	A₁	1141	1125	0.00
5	A₁	1012	998	0.00
6	A₁	206	203	0.00
7	A₂	1211	1195	0.00
8	A₂	939	926	0.00
9	B₁	1227	1210	0.00
10	B₁	1134	1118	0.00
11	B₁	938	925	0.00
12	B₂	3071	3029	89.92
13	B₂	2999	2958	9.85
14	B₂	1453	1433	3.89
15	B₂	870	858	0.02
16	B₂	613	605	3.89
17	E	3055	3013	19.00
17	E	3055	3013	19.00
18	E	2999	2958	76.14
18	E	2999	2958	76.14
19	E	1444	1424	0.21
19	E	1444	1424	0.21
20	E	1253	1236	0.79
20	E	1253	1236	0.79
21	E	1219	1202	0.45
21	E	1219	1202	0.45
22	E	908	895	2.29
22	E	908	895	2.29
23	E	738	728	0.75
23	E	738	728	0.75

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	1.083	0.134
C2	0.000	-1.083	0.134
C3	-1.083	0.000	-0.134
C4	1.083	0.000	-0.134
H5	0.000	1.395	1.192
H6	0.000	1.987	-0.495
H7	0.000	-1.395	1.192
H8	0.000	-1.987	-0.495
H9	-1.395	0.000	-1.192
H10	-1.987	0.000	0.495
H11	1.395	0.000	-1.192
H12	1.987	0.000	0.495

	C1	C2	C3	C4	H5	H6	H7	H8	H9	H10	H11	H12
C1		2.1653	1.5545	1.5545	1.1029	1.1020	2.6942	3.1335	2.2088	2.2913	2.2088	2.2913
C2	2.1653		1.5545	1.5545	2.6942	3.1335	1.1029	1.1020	2.2088	2.2913	2.2088	2.2913
C3	1.5545	1.5545		2.1653	2.2088	2.2913	2.2088	2.2913	1.1029	1.1020	2.6942	3.1335
C4	1.5545	1.5545	2.1653		2.2088	2.2913	2.2088	2.2913	2.6942	3.1335	1.1029	1.1020
H5	1.1029	2.6942	2.2088	2.2088		1.7882	2.7905	3.7798	3.0949	2.5258	3.0949	2.5258
H6	1.1020	3.1335	2.2913	2.2913	1.7882		3.7798	3.9738	2.5258	2.9794	2.5258	2.9794
H7	2.6942	1.1029	2.2088	2.2088	2.7905	3.7798		1.7882	3.0949	2.5258	3.0949	2.5258
H8	3.1335	1.1020	2.2913	2.2913	3.7798	3.9738	1.7882		2.5258	2.9794	2.5258	2.9794
H9	2.2088	2.2088	1.1029	2.6942	3.0949	2.5258	3.0949	2.5258		1.7882	2.7905	3.7798
H10	2.2913	2.2913	1.1020	3.1335	2.5258	2.9794	2.5258	2.9794	1.7882		3.7798	3.9738
H11	2.2088	2.2088	2.6942	1.1029	3.0949	2.5258	3.0949	2.5258	2.7905	3.7798		1.7882
H12	2.2913	2.2913	3.1335	1.1020	2.5258	2.9794	2.5258	2.9794	3.7798	3.9738	1.7882

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C2	88.285	C1	C3	H9	111.303
C1	C3	H10	118.204	C1	C4	C2	88.285
C1	C4	H11	111.303	C1	C4	H12	118.204
C2	C3	H9	111.303	C2	C3	H10	118.204
C2	C4	H11	111.303	C2	C4	H12	118.204
C3	C1	C4	88.285	C3	C1	H5	111.303
C3	C1	H6	118.204	C3	C2	C4	88.285
C3	C2	H7	111.303	C3	C2	H8	118.204
C4	C1	H5	111.303	C4	C1	H6	118.204
C4	C2	H7	111.303	C4	C2	H8	118.204
H5	C1	H6	108.392	H7	C2	H8	108.392
H9	C3	H10	108.392	H11	C4	H12	108.392

All results from a given calculation for C₄H₈ (cyclobutane)

using model chemistry: PBEPBE/6-31G**

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	-0.223
2	C	-0.223
3	C	-0.223
4	C	-0.223
5	H	0.116
6	H	0.108
7	H	0.116
8	H	0.108
9	H	0.116
10	H	0.108
11	H	0.116
12	H	0.108

<r²>	75.301
(<r²>)^1/2	8.678

All results from a given calculation for C4H8 (cyclobutane)

using model chemistry: PBEPBE/6-31G**

States and conformations

All results from a given calculation for C₄H₈ (cyclobutane)