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	hartrees
Energy at 0K	-156.176127
Energy at 298.15K	-156.185256
HF Energy	-156.176127
Nuclear repulsion energy	126.099966

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3156	3029	0.00
2	A₁	3113	2988	0.00
3	A₁	1559	1497	0.00
4	A₁	1179	1131	0.00
5	A₁	1011	970	0.00
6	A₁	195	187	0.00
7	A₂	1294	1243	0.00
8	A₂	1017	976	0.00
9	B₁	1289	1237	0.00
10	B₁	1182	1135	0.00
11	B₁	944	906	0.00
12	B₂	3188	3060	57.77
13	B₂	3105	2981	7.57
14	B₂	1532	1470	6.12
15	B₂	907	871	0.34
16	B₂	645	619	5.16
17	E	3170	3043	12.09
17	E	3170	3043	12.09
18	E	3106	2981	52.51
18	E	3106	2981	52.51
19	E	1523	1462	4.76
19	E	1523	1462	4.76
20	E	1314	1261	4.72
20	E	1314	1261	4.72
21	E	1267	1216	3.66
21	E	1267	1216	3.66
22	E	910	874	4.30
22	E	910	874	4.30
23	E	762	731	0.49
23	E	762	731	0.49

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	1.094	0.126
C2	0.000	-1.094	0.126
C3	-1.094	0.000	-0.126
C4	1.094	0.000	-0.126
H5	0.000	1.411	1.173
H6	0.000	1.966	-0.531
H7	0.000	-1.411	1.173
H8	0.000	-1.966	-0.531
H9	-1.411	0.000	-1.173
H10	-1.966	0.000	0.531
H11	1.411	0.000	-1.173
H12	1.966	0.000	0.531

	C1	C2	C3	C4	H5	H6	H7	H8	H9	H10	H11	H12
C1		2.1877	1.5674	1.5674	1.0941	1.0918	2.7150	3.1296	2.2081	2.2860	2.2081	2.2860
C2	2.1877		1.5674	1.5674	2.7150	3.1296	1.0941	1.0918	2.2081	2.2860	2.2081	2.2860
C3	1.5674	1.5674		2.1877	2.2081	2.2860	2.2081	2.2860	1.0941	1.0918	2.7150	3.1296
C4	1.5674	1.5674	2.1877		2.2081	2.2860	2.2081	2.2860	2.7150	3.1296	1.0941	1.0918
H5	1.0941	2.7150	2.2081	2.2081		1.7918	2.8223	3.7826	3.0801	2.5039	3.0801	2.5039
H6	1.0918	3.1296	2.2860	2.2860	1.7918		3.7826	3.9321	2.5039	2.9761	2.5039	2.9761
H7	2.7150	1.0941	2.2081	2.2081	2.8223	3.7826		1.7918	3.0801	2.5039	3.0801	2.5039
H8	3.1296	1.0918	2.2860	2.2860	3.7826	3.9321	1.7918		2.5039	2.9761	2.5039	2.9761
H9	2.2081	2.2081	1.0941	2.7150	3.0801	2.5039	3.0801	2.5039		1.7918	2.8223	3.7826
H10	2.2860	2.2860	1.0918	3.1296	2.5039	2.9761	2.5039	2.9761	1.7918		3.7826	3.9321
H11	2.2081	2.2081	2.7150	1.0941	3.0801	2.5039	3.0801	2.5039	2.8223	3.7826		1.7918
H12	2.2860	2.2860	3.1296	1.0918	2.5039	2.9761	2.5039	2.9761	3.7826	3.9321	1.7918

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C2	88.518	C1	C3	H9	110.873
C1	C3	H10	117.438	C1	C4	C2	88.518
C1	C4	H11	110.873	C1	C4	H12	117.438
C2	C3	H9	110.873	C2	C3	H10	117.438
C2	C4	H11	110.873	C2	C4	H12	117.438
C3	C1	C4	88.518	C3	C1	H5	110.873
C3	C1	H6	117.438	C3	C2	C4	88.518
C3	C2	H7	110.873	C3	C2	H8	117.438
C4	C1	H5	110.873	C4	C1	H6	117.438
C4	C2	H7	110.873	C4	C2	H8	117.438
H5	C1	H6	110.121	H7	C2	H8	110.121
H9	C3	H10	110.121	H11	C4	H12	110.121

All results from a given calculation for C₄H₈ (cyclobutane)

using model chemistry: HSEh1PBE/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	-0.430
2	C	-0.430
3	C	-0.430
4	C	-0.430
5	H	0.221
6	H	0.209
7	H	0.221
8	H	0.209
9	H	0.221
10	H	0.209
11	H	0.221
12	H	0.209

<r²>	75.706
(<r²>)^1/2	8.701

All results from a given calculation for C4H8 (cyclobutane)

using model chemistry: HSEh1PBE/3-21G*

States and conformations

All results from a given calculation for C₄H₈ (cyclobutane)