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	hartrees
Energy at 0K	-156.092283
Energy at 298.15K	-156.101428
HF Energy	-155.971325
Nuclear repulsion energy	125.650887

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3157	3157	0.00
2	A₁	3118	3118	0.00
3	A₁	1583	1583	0.00
4	A₁	1193	1193	0.00
5	A₁	987	987	0.00
6	A₁	200	200	0.00
7	A₂	1307	1307	0.00
8	A₂	1018	1018	0.00
9	B₁	1302	1302	0.00
10	B₁	1194	1194	0.00
11	B₁	915	915	0.00
12	B₂	3189	3189	69.49
13	B₂	3110	3110	7.84
14	B₂	1560	1560	4.60
15	B₂	917	917	0.10
16	B₂	650	650	3.70
17	E	3171	3171	12.88
17	E	3171	3171	12.88
18	E	3111	3111	55.03
18	E	3111	3111	55.03
19	E	1552	1552	1.98
19	E	1552	1552	1.98
20	E	1326	1326	2.43
20	E	1326	1326	2.43
21	E	1275	1275	1.88
21	E	1275	1275	1.88
22	E	890	890	3.43
22	E	890	890	3.43
23	E	765	765	0.26
23	E	765	765	0.26

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	1.100	0.127
C2	0.000	-1.100	0.127
C3	-1.100	0.000	-0.127
C4	1.100	0.000	-0.127
H5	0.000	1.416	1.173
H6	0.000	1.971	-0.527
H7	0.000	-1.416	1.173
H8	0.000	-1.971	-0.527
H9	-1.416	0.000	-1.173
H10	-1.971	0.000	0.527
H11	1.416	0.000	-1.173
H12	1.971	0.000	0.527

	C1	C2	C3	C4	H5	H6	H7	H8	H9	H10	H11	H12
C1		2.2005	1.5767	1.5767	1.0918	1.0897	2.7246	3.1405	2.2148	2.2927	2.2148	2.2927
C2	2.2005		1.5767	1.5767	2.7246	3.1405	1.0918	1.0897	2.2148	2.2927	2.2148	2.2927
C3	1.5767	1.5767		2.2005	2.2148	2.2927	2.2148	2.2927	1.0918	1.0897	2.7246	3.1405
C4	1.5767	1.5767	2.2005		2.2148	2.2927	2.2148	2.2927	2.7246	3.1405	1.0918	1.0897
H5	1.0918	2.7246	2.2148	2.2148		1.7884	2.8318	3.7898	3.0838	2.5114	3.0838	2.5114
H6	1.0897	3.1405	2.2927	2.2927	1.7884		3.7898	3.9425	2.5114	2.9807	2.5114	2.9807
H7	2.7246	1.0918	2.2148	2.2148	2.8318	3.7898		1.7884	3.0838	2.5114	3.0838	2.5114
H8	3.1405	1.0897	2.2927	2.2927	3.7898	3.9425	1.7884		2.5114	2.9807	2.5114	2.9807
H9	2.2148	2.2148	1.0918	2.7246	3.0838	2.5114	3.0838	2.5114		1.7884	2.8318	3.7898
H10	2.2927	2.2927	1.0897	3.1405	2.5114	2.9807	2.5114	2.9807	1.7884		3.7898	3.9425
H11	2.2148	2.2148	2.7246	1.0918	3.0838	2.5114	3.0838	2.5114	2.8318	3.7898		1.7884
H12	2.2927	2.2927	3.1405	1.0897	2.5114	2.9807	2.5114	2.9807	3.7898	3.9425	1.7884

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C2	88.502	C1	C3	H9	110.888
C1	C3	H10	117.426	C1	C4	C2	88.502
C1	C4	H11	110.888	C1	C4	H12	117.426
C2	C3	H9	110.888	C2	C3	H10	117.426
C2	C4	H11	110.888	C2	C4	H12	117.426
C3	C1	C4	88.502	C3	C1	H5	110.888
C3	C1	H6	117.426	C3	C2	C4	88.502
C3	C2	H7	110.888	C3	C2	H8	117.426
C4	C1	H5	110.888	C4	C1	H6	117.426
C4	C2	H7	110.888	C4	C2	H8	117.426
H5	C1	H6	110.129	H7	C2	H8	110.129
H9	C3	H10	110.129	H11	C4	H12	110.129

All results from a given calculation for C₄H₈ (cyclobutane)

using model chemistry: B2PLYP/3-21G

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	-0.377
2	C	-0.377
3	C	-0.377
4	C	-0.377
5	H	0.194
6	H	0.183
7	H	0.194
8	H	0.183
9	H	0.194
10	H	0.183
11	H	0.194
12	H	0.183

<r²>	76.413
(<r²>)^1/2	8.741

All results from a given calculation for C4H8 (cyclobutane)

using model chemistry: B2PLYP/3-21G

States and conformations

All results from a given calculation for C₄H₈ (cyclobutane)