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	hartrees
Energy at 0K	-157.039235
Energy at 298.15K	-157.048384
HF Energy	-157.039235
Nuclear repulsion energy	127.381190

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3128	2985	0.00
2	A₁	3089	2948	0.00
3	A₁	1534	1464	0.00
4	A₁	1182	1128	0.00
5	A₁	1047	999	0.00
6	A₁	210	200	0.00
7	A₂	1259	1202	0.00
8	A₂	971	926	0.00
9	B₁	1272	1214	0.00
10	B₁	1180	1126	0.00
11	B₁	973	929	0.00
12	B₂	3157	3013	88.83
13	B₂	3082	2941	10.60
14	B₂	1497	1429	4.44
15	B₂	900	859	0.00
16	B₂	631	602	3.60
17	E	3141	2998	19.54
17	E	3141	2998	19.54
18	E	3083	2942	73.49
18	E	3083	2942	73.49
19	E	1491	1422	0.49
19	E	1491	1422	0.49
20	E	1304	1245	1.42
20	E	1304	1245	1.42
21	E	1262	1205	0.26
21	E	1262	1205	0.26
22	E	941	898	2.81
22	E	941	898	2.81
23	E	761	726	0.74
23	E	761	726	0.74

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	1.075	0.134
C2	0.000	-1.075	0.134
C3	-1.075	0.000	-0.134
C4	1.075	0.000	-0.134
H5	0.000	1.384	1.184
H6	0.000	1.973	-0.491
H7	0.000	-1.384	1.184
H8	0.000	-1.973	-0.491
H9	-1.384	0.000	-1.184
H10	-1.973	0.000	0.491
H11	1.384	0.000	-1.184
H12	1.973	0.000	0.491

	C1	C2	C3	C4	H5	H6	H7	H8	H9	H10	H11	H12
C1		2.1499	1.5436	1.5436	1.0949	1.0938	2.6738	3.1110	2.1928	2.2747	2.1928	2.2747
C2	2.1499		1.5436	1.5436	2.6738	3.1110	1.0949	1.0938	2.1928	2.2747	2.1928	2.2747
C3	1.5436	1.5436		2.1499	2.1928	2.2747	2.1928	2.2747	1.0949	1.0938	2.6738	3.1110
C4	1.5436	1.5436	2.1499		2.1928	2.2747	2.1928	2.2747	2.6738	3.1110	1.0949	1.0938
H5	1.0949	2.6738	2.1928	2.1928		1.7758	2.7677	3.7514	3.0726	2.5074	3.0726	2.5074
H6	1.0938	3.1110	2.2747	2.2747	1.7758		3.7514	3.9452	2.5074	2.9575	2.5074	2.9575
H7	2.6738	1.0949	2.1928	2.1928	2.7677	3.7514		1.7758	3.0726	2.5074	3.0726	2.5074
H8	3.1110	1.0938	2.2747	2.2747	3.7514	3.9452	1.7758		2.5074	2.9575	2.5074	2.9575
H9	2.1928	2.1928	1.0949	2.6738	3.0726	2.5074	3.0726	2.5074		1.7758	2.7677	3.7514
H10	2.2747	2.2747	1.0938	3.1110	2.5074	2.9575	2.5074	2.9575	1.7758		3.7514	3.9452
H11	2.1928	2.1928	2.6738	1.0949	3.0726	2.5074	3.0726	2.5074	2.7677	3.7514		1.7758
H12	2.2747	2.2747	3.1110	1.0938	2.5074	2.9575	2.5074	2.9575	3.7514	3.9452	1.7758

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C2	88.274	C1	C3	H9	111.284
C1	C3	H10	118.187	C1	C4	C2	88.274
C1	C4	H11	111.284	C1	C4	H12	118.187
C2	C3	H9	111.284	C2	C3	H10	118.187
C2	C4	H11	111.284	C2	C4	H12	118.187
C3	C1	C4	88.274	C3	C1	H5	111.284
C3	C1	H6	118.187	C3	C2	C4	88.274
C3	C2	H7	111.284	C3	C2	H8	118.187
C4	C1	H5	111.284	C4	C1	H6	118.187
C4	C2	H7	111.284	C4	C2	H8	118.187
H5	C1	H6	108.457	H7	C2	H8	108.457
H9	C3	H10	108.457	H11	C4	H12	108.457

All results from a given calculation for C₄H₈ (cyclobutane)

using model chemistry: HSEh1PBE/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	-0.248
2	C	-0.248
3	C	-0.248
4	C	-0.248
5	H	0.128
6	H	0.121
7	H	0.128
8	H	0.121
9	H	0.128
10	H	0.121
11	H	0.128
12	H	0.121

<r²>	74.398
(<r²>)^1/2	8.625

All results from a given calculation for C4H8 (cyclobutane)

using model chemistry: HSEh1PBE/6-31G**

States and conformations

All results from a given calculation for C₄H₈ (cyclobutane)