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	hartrees
Energy at 0K	-156.750616
Energy at 298.15K	-156.759785
HF Energy	-156.111821
Nuclear repulsion energy	126.183308

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3120	3009	0.00
2	A₁	3077	2967	0.00
3	A₁	1526	1472	0.00
4	A₁	1179	1137	0.00
5	A₁	1034	997	0.00
6	A₁	226	218	0.00
7	A₂	1251	1207	0.00
8	A₂	956	922	0.00
9	B₁	1261	1216	0.00
10	B₁	1168	1127	0.00
11	B₁	952	919	0.00
12	B₂	3146	3035	96.04
13	B₂	3069	2960	17.02
14	B₂	1487	1434	3.40
15	B₂	908	876	0.12
16	B₂	625	603	1.41
17	E	3131	3020	26.71
17	E	3131	3020	26.71
18	E	3070	2961	68.28
18	E	3070	2961	68.28
19	E	1482	1429	0.37
19	E	1482	1429	0.37
20	E	1290	1244	0.93
20	E	1290	1244	0.93
21	E	1249	1205	0.09
21	E	1249	1205	0.09
22	E	922	889	2.06
22	E	922	889	2.06
23	E	752	725	0.16
23	E	752	725	0.16

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	1.086	0.141
C2	0.000	-1.086	0.141
C3	-1.086	0.000	-0.141
C4	1.086	0.000	-0.141
H5	0.000	1.379	1.204
H6	0.000	1.994	-0.482
H7	0.000	-1.379	1.204
H8	0.000	-1.994	-0.482
H9	-1.379	0.000	-1.204
H10	-1.994	0.000	0.482
H11	1.379	0.000	-1.204
H12	1.994	0.000	0.482

	C1	C2	C3	C4	H5	H6	H7	H8	H9	H10	H11	H12
C1		2.1715	1.5612	1.5612	1.1029	1.1014	2.6840	3.1422	2.2112	2.2960	2.2112	2.2960
C2	2.1715		1.5612	1.5612	2.6840	3.1422	1.1029	1.1014	2.2112	2.2960	2.2112	2.2960
C3	1.5612	1.5612		2.1715	2.2112	2.2960	2.2112	2.2960	1.1029	1.1014	2.6840	3.1422
C4	1.5612	1.5612	2.1715		2.2112	2.2960	2.2112	2.2960	2.6840	3.1422	1.1029	1.1014
H5	1.1029	2.6840	2.2112	2.2112		1.7949	2.7572	3.7707	3.0989	2.5297	3.0989	2.5297
H6	1.1014	3.1422	2.2960	2.2960	1.7949		3.7707	3.9884	2.5297	2.9802	2.5297	2.9802
H7	2.6840	1.1029	2.2112	2.2112	2.7572	3.7707		1.7949	3.0989	2.5297	3.0989	2.5297
H8	3.1422	1.1014	2.2960	2.2960	3.7707	3.9884	1.7949		2.5297	2.9802	2.5297	2.9802
H9	2.2112	2.2112	1.1029	2.6840	3.0989	2.5297	3.0989	2.5297		1.7949	2.7572	3.7707
H10	2.2960	2.2960	1.1014	3.1422	2.5297	2.9802	2.5297	2.9802	1.7949		3.7707	3.9884
H11	2.2112	2.2112	2.6840	1.1029	3.0989	2.5297	3.0989	2.5297	2.7572	3.7707		1.7949
H12	2.2960	2.2960	3.1422	1.1014	2.5297	2.9802	2.5297	2.9802	3.7707	3.9884	1.7949

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C2	88.130	C1	C3	H9	111.027
C1	C3	H10	118.133	C1	C4	C2	88.130
C1	C4	H11	111.027	C1	C4	H12	118.133
C2	C3	H9	111.027	C2	C3	H10	118.133
C2	C4	H11	111.027	C2	C4	H12	118.133
C3	C1	C4	88.130	C3	C1	H5	111.027
C3	C1	H6	118.133	C3	C2	C4	88.130
C3	C2	H7	111.027	C3	C2	H8	118.133
C4	C1	H5	111.027	C4	C1	H6	118.133
C4	C2	H7	111.027	C4	C2	H8	118.133
H5	C1	H6	109.031	H7	C2	H8	109.031
H9	C3	H10	109.031	H11	C4	H12	109.031

All results from a given calculation for C₄H₈ (cyclobutane)

using model chemistry: CCD/aug-cc-pVDZ

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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All results from a given calculation for C4H8 (cyclobutane)

using model chemistry: CCD/aug-cc-pVDZ

States and conformations

All results from a given calculation for C₄H₈ (cyclobutane)