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	hartrees
Energy at 0K	-156.880266
Energy at 298.15K	-156.889477
HF Energy	-156.150227
Nuclear repulsion energy	127.385656

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3135	2927	0.00
2	A₁	3094	2889	0.00
3	A₁	1546	1444	0.00
4	A₁	1197	1117	0.00
5	A₁	1042	973	0.00
6	A₁	226	211	0.00
7	A₂	1278	1193	0.00
8	A₂	973	908	0.00
9	B₁	1279	1194	0.00
10	B₁	1189	1110	0.00
11	B₁	961	897	0.00
12	B₂	3161	2952	83.74
13	B₂	3088	2883	14.16
14	B₂	1511	1411	4.19
15	B₂	918	857	0.06
16	B₂	631	589	1.81
17	E	3146	2937	23.39
17	E	3146	2937	23.39
18	E	3089	2884	62.66
18	E	3089	2884	62.66
19	E	1505	1405	0.72
19	E	1505	1405	0.72
20	E	1312	1225	1.62
20	E	1312	1225	1.62
21	E	1271	1187	0.12
21	E	1271	1187	0.12
22	E	934	872	2.63
22	E	934	872	2.63
23	E	765	715	0.22
23	E	765	715	0.22

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	1.076	0.141
C2	0.000	-1.076	0.141
C3	-1.076	0.000	-0.141
C4	1.076	0.000	-0.141
H5	0.000	1.363	1.192
H6	0.000	1.976	-0.471
H7	0.000	-1.363	1.192
H8	0.000	-1.976	-0.471
H9	-1.363	0.000	-1.192
H10	-1.976	0.000	0.471
H11	1.363	0.000	-1.192
H12	1.976	0.000	0.471

	C1	C2	C3	C4	H5	H6	H7	H8	H9	H10	H11	H12
C1		2.1530	1.5483	1.5483	1.0896	1.0879	2.6565	3.1132	2.1898	2.2742	2.1898	2.2742
C2	2.1530		1.5483	1.5483	2.6565	3.1132	1.0896	1.0879	2.1898	2.2742	2.1898	2.2742
C3	1.5483	1.5483		2.1530	2.1898	2.2742	2.1898	2.2742	1.0896	1.0879	2.6565	3.1132
C4	1.5483	1.5483	2.1530		2.1898	2.2742	2.1898	2.2742	2.6565	3.1132	1.0896	1.0879
H5	1.0896	2.6565	2.1898	2.1898		1.7725	2.7264	3.7304	3.0665	2.5066	3.0665	2.5066
H6	1.0879	3.1132	2.2742	2.2742	1.7725		3.7304	3.9518	2.5066	2.9488	2.5066	2.9488
H7	2.6565	1.0896	2.1898	2.1898	2.7264	3.7304		1.7725	3.0665	2.5066	3.0665	2.5066
H8	3.1132	1.0879	2.2742	2.2742	3.7304	3.9518	1.7725		2.5066	2.9488	2.5066	2.9488
H9	2.1898	2.1898	1.0896	2.6565	3.0665	2.5066	3.0665	2.5066		1.7725	2.7264	3.7304
H10	2.2742	2.2742	1.0879	3.1132	2.5066	2.9488	2.5066	2.9488	1.7725		3.7304	3.9518
H11	2.1898	2.1898	2.6565	1.0896	3.0665	2.5066	3.0665	2.5066	2.7264	3.7304		1.7725
H12	2.2742	2.2742	3.1132	1.0879	2.5066	2.9488	2.5066	2.9488	3.7304	3.9518	1.7725

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C2	88.095	C1	C3	H9	111.028
C1	C3	H10	118.181	C1	C4	C2	88.095
C1	C4	H11	111.028	C1	C4	H12	118.181
C2	C3	H9	111.028	C2	C3	H10	118.181
C2	C4	H11	111.028	C2	C4	H12	118.181
C3	C1	C4	88.095	C3	C1	H5	111.028
C3	C1	H6	118.181	C3	C2	C4	88.095
C3	C2	H7	111.028	C3	C2	H8	118.181
C4	C1	H5	111.028	C4	C1	H6	118.181
C4	C2	H7	111.028	C4	C2	H8	118.181
H5	C1	H6	108.977	H7	C2	H8	108.977
H9	C3	H10	108.977	H11	C4	H12	108.977

All results from a given calculation for C₄H₈ (cyclobutane)

using model chemistry: CCD/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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All results from a given calculation for C4H8 (cyclobutane)

using model chemistry: CCD/cc-pVTZ

States and conformations

All results from a given calculation for C₄H₈ (cyclobutane)