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	hartrees
Energy at 0K	-157.151925
Energy at 298.15K	-157.160910
HF Energy	-157.151925
Nuclear repulsion energy	125.776433

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2997	2985	0.00
2	A₁	2973	2961	0.00
3	A₁	1484	1478	0.00
4	A₁	1139	1134	0.00
5	A₁	974	970	0.00
6	A₁	178	177	0.00
7	A₂	1219	1214	0.00
8	A₂	940	937	0.00
9	B₁	1221	1217	0.00
10	B₁	1131	1127	0.00
11	B₁	905	901	0.00
12	B₂	3031	3019	126.57
13	B₂	2967	2955	8.75
14	B₂	1456	1450	3.02
15	B₂	856	853	0.02
16	B₂	628	626	2.77
17	E	3012	3000	20.25
17	E	3012	3000	20.25
18	E	2968	2956	93.71
18	E	2968	2956	93.71
19	E	1449	1443	0.72
19	E	1449	1443	0.72
20	E	1246	1241	1.11
20	E	1246	1241	1.11
21	E	1209	1204	0.76
21	E	1209	1204	0.76
22	E	879	875	2.29
22	E	879	875	2.29
23	E	733	730	0.20
23	E	733	730	0.20

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	1.095	0.119
C2	0.000	-1.095	0.119
C3	-1.095	0.000	-0.119
C4	1.095	0.000	-0.119
H5	0.000	1.451	1.159
H6	0.000	1.968	-0.547
H7	0.000	-1.451	1.159
H8	0.000	-1.968	-0.547
H9	-1.451	0.000	-1.159
H10	-1.968	0.000	0.547
H11	1.451	0.000	-1.159
H12	1.968	0.000	0.547

	C1	C2	C3	C4	H5	H6	H7	H8	H9	H10	H11	H12
C1		2.1898	1.5667	1.5667	1.0994	1.0985	2.7500	3.1348	2.2223	2.2926	2.2223	2.2926
C2	2.1898		1.5667	1.5667	2.7500	3.1348	1.0994	1.0985	2.2223	2.2926	2.2223	2.2926
C3	1.5667	1.5667		2.1898	2.2223	2.2926	2.2223	2.2926	1.0994	1.0985	2.7500	3.1348
C4	1.5667	1.5667	2.1898		2.2223	2.2926	2.2223	2.2926	2.7500	3.1348	1.0994	1.0985
H5	1.0994	2.7500	2.2223	2.2223		1.7832	2.9016	3.8213	3.0963	2.5207	3.0963	2.5207
H6	1.0985	3.1348	2.2926	2.2926	1.7832		3.8213	3.9366	2.5207	2.9908	2.5207	2.9908
H7	2.7500	1.0994	2.2223	2.2223	2.9016	3.8213		1.7832	3.0963	2.5207	3.0963	2.5207
H8	3.1348	1.0985	2.2926	2.2926	3.8213	3.9366	1.7832		2.5207	2.9908	2.5207	2.9908
H9	2.2223	2.2223	1.0994	2.7500	3.0963	2.5207	3.0963	2.5207		1.7832	2.9016	3.8213
H10	2.2926	2.2926	1.0985	3.1348	2.5207	2.9908	2.5207	2.9908	1.7832		3.8213	3.9366
H11	2.2223	2.2223	2.7500	1.0994	3.0963	2.5207	3.0963	2.5207	2.9016	3.8213		1.7832
H12	2.2926	2.2926	3.1348	1.0985	2.5207	2.9908	2.5207	2.9908	3.8213	3.9366	1.7832

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C2	88.673	C1	C3	H9	111.729
C1	C3	H10	117.607	C1	C4	C2	88.673
C1	C4	H11	111.729	C1	C4	H12	117.607
C2	C3	H9	111.729	C2	C3	H10	117.607
C2	C4	H11	111.729	C2	C4	H12	117.607
C3	C1	C4	88.673	C3	C1	H5	111.729
C3	C1	H6	117.607	C3	C2	C4	88.673
C3	C2	H7	111.729	C3	C2	H8	117.607
C4	C1	H5	111.729	C4	C1	H6	117.607
C4	C2	H7	111.729	C4	C2	H8	117.607
H5	C1	H6	108.446	H7	C2	H8	108.446
H9	C3	H10	108.446	H11	C4	H12	108.446

All results from a given calculation for C₄H₈ (cyclobutane)

using model chemistry: BLYP/6-311G**

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	-0.206
2	C	-0.206
3	C	-0.206
4	C	-0.206
5	H	0.103
6	H	0.102
7	H	0.103
8	H	0.102
9	H	0.103
10	H	0.102
11	H	0.103
12	H	0.102

<r²>	76.641
(<r²>)^1/2	8.754

All results from a given calculation for C4H8 (cyclobutane)

using model chemistry: BLYP/6-311G**

States and conformations

All results from a given calculation for C₄H₈ (cyclobutane)