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	hartrees
Energy at 0K	-157.064105
Energy at 298.15K	-157.073254
HF Energy	-157.064105
Nuclear repulsion energy	128.766796

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3103	2983	0.00
2	A₁	3069	2950	0.00
3	A₁	1517	1458	0.00
4	A₁	1176	1130	0.00
5	A₁	1040	999	0.00
6	A₁	206	198	0.00
7	A₂	1257	1208	0.00
8	A₂	963	926	0.00
9	B₁	1258	1209	0.00
10	B₁	1171	1125	0.00
11	B₁	964	926	0.00
12	B₂	3134	3012	89.64
13	B₂	3064	2944	10.80
14	B₂	1484	1426	4.51
15	B₂	895	860	0.00
16	B₂	627	603	3.02
17	E	3117	2996	21.62
17	E	3117	2996	21.62
18	E	3065	2945	75.86
18	E	3065	2945	75.86
19	E	1476	1418	1.51
19	E	1476	1418	1.51
20	E	1291	1240	2.41
20	E	1291	1240	2.41
21	E	1253	1204	0.29
21	E	1253	1204	0.29
22	E	932	896	2.75
22	E	932	896	2.75
23	E	755	726	0.36
23	E	755	726	0.36

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	1.074	0.132
C2	0.000	-1.074	0.132
C3	-1.074	0.000	-0.132
C4	1.074	0.000	-0.132
H5	0.000	1.386	1.178
H6	0.000	1.966	-0.495
H7	0.000	-1.386	1.178
H8	0.000	-1.966	-0.495
H9	-1.386	0.000	-1.178
H10	-1.966	0.000	0.495
H11	1.386	0.000	-1.178
H12	1.966	0.000	0.495

	C1	C2	C3	C4	H5	H6	H7	H8	H9	H10	H11	H12
C1		2.1478	1.5415	1.5415	1.0915	1.0902	2.6731	3.1035	2.1889	2.2690	2.1889	2.2690
C2	2.1478		1.5415	1.5415	2.6731	3.1035	1.0915	1.0902	2.1889	2.2690	2.1889	2.2690
C3	1.5415	1.5415		2.1478	2.1889	2.2690	2.1889	2.2690	1.0915	1.0902	2.6731	3.1035
C4	1.5415	1.5415	2.1478		2.1889	2.2690	2.1889	2.2690	2.6731	3.1035	1.0915	1.0902
H5	1.0915	2.6731	2.1889	2.1889		1.7706	2.7722	3.7461	3.0649	2.5003	3.0649	2.5003
H6	1.0902	3.1035	2.2690	2.2690	1.7706		3.7461	3.9312	2.5003	2.9508	2.5003	2.9508
H7	2.6731	1.0915	2.1889	2.1889	2.7722	3.7461		1.7706	3.0649	2.5003	3.0649	2.5003
H8	3.1035	1.0902	2.2690	2.2690	3.7461	3.9312	1.7706		2.5003	2.9508	2.5003	2.9508
H9	2.1889	2.1889	1.0915	2.6731	3.0649	2.5003	3.0649	2.5003		1.7706	2.7722	3.7461
H10	2.2690	2.2690	1.0902	3.1035	2.5003	2.9508	2.5003	2.9508	1.7706		3.7461	3.9312
H11	2.1889	2.1889	2.6731	1.0915	3.0649	2.5003	3.0649	2.5003	2.7722	3.7461		1.7706
H12	2.2690	2.2690	3.1035	1.0902	2.5003	2.9508	2.5003	2.9508	3.7461	3.9312	1.7706

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C2	88.314	C1	C3	H9	111.324
C1	C3	H10	118.106	C1	C4	C2	88.314
C1	C4	H11	111.324	C1	C4	H12	118.106
C2	C3	H9	111.324	C2	C3	H10	118.106
C2	C4	H11	111.324	C2	C4	H12	118.106
C3	C1	C4	88.314	C3	C1	H5	111.324
C3	C1	H6	118.106	C3	C2	C4	88.314
C3	C2	H7	111.324	C3	C2	H8	118.106
C4	C1	H5	111.324	C4	C1	H6	118.106
C4	C2	H7	111.324	C4	C2	H8	118.106
H5	C1	H6	108.500	H7	C2	H8	108.500
H9	C3	H10	108.500	H11	C4	H12	108.500

All results from a given calculation for C₄H₈ (cyclobutane)

using model chemistry: HSEh1PBE/cc-pVTZ

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	-0.164
2	C	-0.164
3	C	-0.164
4	C	-0.164
5	H	0.077
6	H	0.087
7	H	0.077
8	H	0.087
9	H	0.077
10	H	0.087
11	H	0.077
12	H	0.087

<r²>	72.437
(<r²>)^1/2	8.511

All results from a given calculation for C4H8 (cyclobutane)

using model chemistry: HSEh1PBE/cc-pVTZ

States and conformations

All results from a given calculation for C₄H₈ (cyclobutane)