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	hartrees
Energy at 0K	-157.121294
Energy at 298.15K	-157.130413
HF Energy	-157.121294
Nuclear repulsion energy	126.396055

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3128	2995	0.00
2	A₁	3090	2959	0.00
3	A₁	1554	1489	0.00
4	A₁	1202	1151	0.00
5	A₁	1029	985	0.00
6	A₁	164	157	0.00
7	A₂	1304	1249	0.00
8	A₂	994	952	0.00
9	B₁	1281	1227	0.00
10	B₁	1194	1144	0.00
11	B₁	975	933	0.00
12	B₂	3161	3028	103.10
13	B₂	3079	2949	9.18
14	B₂	1530	1465	4.00
15	B₂	893	855	0.35
16	B₂	657	629	4.65
17	E	3141	3008	15.77
17	E	3141	3008	15.77
18	E	3081	2950	78.61
18	E	3081	2950	78.61
19	E	1524	1460	3.04
19	E	1524	1460	3.04
20	E	1315	1260	2.96
20	E	1315	1260	2.96
21	E	1268	1215	0.66
21	E	1268	1215	0.66
22	E	934	895	4.44
22	E	934	895	4.44
23	E	778	745	0.37
23	E	778	745	0.37

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	1.090	0.113
C2	0.000	-1.090	0.113
C3	-1.090	0.000	-0.113
C4	1.090	0.000	-0.113
H5	0.000	1.460	1.144
H6	0.000	1.949	-0.563
H7	0.000	-1.460	1.144
H8	0.000	-1.949	-0.563
H9	-1.460	0.000	-1.144
H10	-1.949	0.000	0.563
H11	1.460	0.000	-1.144
H12	1.949	0.000	0.563

	C1	C2	C3	C4	H5	H6	H7	H8	H9	H10	H11	H12
C1		2.1796	1.5577	1.5577	1.0954	1.0939	2.7500	3.1136	2.2133	2.2783	2.2133	2.2783
C2	2.1796		1.5577	1.5577	2.7500	3.1136	1.0954	1.0939	2.2133	2.2783	2.2133	2.2783
C3	1.5577	1.5577		2.1796	2.2133	2.2783	2.2133	2.2783	1.0954	1.0939	2.7500	3.1136
C4	1.5577	1.5577	2.1796		2.2133	2.2783	2.2133	2.2783	2.7500	3.1136	1.0954	1.0939
H5	1.0954	2.7500	2.2133	2.2133		1.7765	2.9191	3.8128	3.0818	2.5036	3.0818	2.5036
H6	1.0939	3.1136	2.2783	2.2783	1.7765		3.8128	3.8988	2.5036	2.9783	2.5036	2.9783
H7	2.7500	1.0954	2.2133	2.2133	2.9191	3.8128		1.7765	3.0818	2.5036	3.0818	2.5036
H8	3.1136	1.0939	2.2783	2.2783	3.8128	3.8988	1.7765		2.5036	2.9783	2.5036	2.9783
H9	2.2133	2.2133	1.0954	2.7500	3.0818	2.5036	3.0818	2.5036		1.7765	2.9191	3.8128
H10	2.2783	2.2783	1.0939	3.1136	2.5036	2.9783	2.5036	2.9783	1.7765		3.8128	3.8988
H11	2.2133	2.2133	2.7500	1.0954	3.0818	2.5036	3.0818	2.5036	2.9191	3.8128		1.7765
H12	2.2783	2.2783	3.1136	1.0939	2.5036	2.9783	2.5036	2.9783	3.8128	3.8988	1.7765

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C2	88.792	C1	C3	H9	111.890
C1	C3	H10	117.386	C1	C4	C2	88.792
C1	C4	H11	111.890	C1	C4	H12	117.386
C2	C3	H9	111.890	C2	C3	H10	117.386
C2	C4	H11	111.890	C2	C4	H12	117.386
C3	C1	C4	88.792	C3	C1	H5	111.890
C3	C1	H6	117.386	C3	C2	C4	88.792
C3	C2	H7	111.890	C3	C2	H8	117.386
C4	C1	H5	111.890	C4	C1	H6	117.386
C4	C2	H7	111.890	C4	C2	H8	117.386
H5	C1	H6	108.474	H7	C2	H8	108.474
H9	C3	H10	108.474	H11	C4	H12	108.474

All results from a given calculation for C₄H₈ (cyclobutane)

using model chemistry: B3PW91/6-31G

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	-0.314
2	C	-0.314
3	C	-0.314
4	C	-0.314
5	H	0.160
6	H	0.154
7	H	0.160
8	H	0.154
9	H	0.160
10	H	0.154
11	H	0.160
12	H	0.154

<r²>	75.515
(<r²>)^1/2	8.690

All results from a given calculation for C4H8 (cyclobutane)

using model chemistry: B3PW91/6-31G

States and conformations

All results from a given calculation for C₄H₈ (cyclobutane)