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	hartrees
Energy at 0K	-156.116976
Energy at 298.15K	-156.126304
HF Energy	-156.116976
Nuclear repulsion energy	127.519940

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3226	2921	0.00
2	A₁	3199	2896	0.00
3	A₁	1649	1493	0.00
4	A₁	1280	1159	0.00
5	A₁	1075	974	0.00
6	A₁	208	188	0.00
7	A₂	1373	1243	0.00
8	A₂	1030	933	0.00
9	B₁	1378	1248	0.00
10	B₁	1276	1155	0.00
11	B₁	1005	910	0.00
12	B₂	3258	2950	134.34
13	B₂	3186	2884	12.94
14	B₂	1607	1455	2.55
15	B₂	960	869	0.14
16	B₂	678	614	2.03
17	E	3238	2932	25.90
17	E	3238	2932	25.90
18	E	3189	2888	95.63
18	E	3189	2888	95.63
19	E	1606	1454	0.01
19	E	1606	1454	0.01
20	E	1420	1286	0.08
20	E	1420	1286	0.08
21	E	1354	1226	0.04
21	E	1354	1226	0.04
22	E	978	886	2.34
22	E	978	886	2.34
23	E	803	727	0.25
23	E	803	727	0.25

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	1.078	0.127
C2	0.000	-1.078	0.127
C3	-1.078	0.000	-0.127
C4	1.078	0.000	-0.127
H5	0.000	1.408	1.161
H6	0.000	1.954	-0.513
H7	0.000	-1.408	1.161
H8	0.000	-1.954	-0.513
H9	-1.408	0.000	-1.161
H10	-1.954	0.000	0.513
H11	1.408	0.000	-1.161
H12	1.954	0.000	0.513

	C1	C2	C3	C4	H5	H6	H7	H8	H9	H10	H11	H12
C1		2.1569	1.5460	1.5460	1.0853	1.0839	2.6925	3.0988	2.1911	2.2648	2.1911	2.2648
C2	2.1569		1.5460	1.5460	2.6925	3.0988	1.0853	1.0839	2.1911	2.2648	2.1911	2.2648
C3	1.5460	1.5460		2.1569	2.1911	2.2648	2.1911	2.2648	1.0853	1.0839	2.6925	3.0988
C4	1.5460	1.5460	2.1569		2.1911	2.2648	2.1911	2.2648	2.6925	3.0988	1.0853	1.0839
H5	1.0853	2.6925	2.1911	2.1911		1.7603	2.8151	3.7548	3.0579	2.4935	3.0579	2.4935
H6	1.0839	3.0988	2.2648	2.2648	1.7603		3.7548	3.9074	2.4935	2.9472	2.4935	2.9472
H7	2.6925	1.0853	2.1911	2.1911	2.8151	3.7548		1.7603	3.0579	2.4935	3.0579	2.4935
H8	3.0988	1.0839	2.2648	2.2648	3.7548	3.9074	1.7603		2.4935	2.9472	2.4935	2.9472
H9	2.1911	2.1911	1.0853	2.6925	3.0579	2.4935	3.0579	2.4935		1.7603	2.8151	3.7548
H10	2.2648	2.2648	1.0839	3.0988	2.4935	2.9472	2.4935	2.9472	1.7603		3.7548	3.9074
H11	2.1911	2.1911	2.6925	1.0853	3.0579	2.4935	3.0579	2.4935	2.8151	3.7548		1.7603
H12	2.2648	2.2648	3.0988	1.0839	2.4935	2.9472	2.4935	2.9472	3.7548	3.9074	1.7603

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C2	88.465	C1	C3	H9	111.561
C1	C3	H10	117.825	C1	C4	C2	88.465
C1	C4	H11	111.561	C1	C4	H12	117.825
C2	C3	H9	111.561	C2	C3	H10	117.825
C2	C4	H11	111.561	C2	C4	H12	117.825
C3	C1	C4	88.465	C3	C1	H5	111.561
C3	C1	H6	117.825	C3	C2	C4	88.465
C3	C2	H7	111.561	C3	C2	H8	117.825
C4	C1	H5	111.561	C4	C1	H6	117.825
C4	C2	H7	111.561	C4	C2	H8	117.825
H5	C1	H6	108.492	H7	C2	H8	108.492
H9	C3	H10	108.492	H11	C4	H12	108.492

All results from a given calculation for C₄H₈ (cyclobutane)

using model chemistry: HF/6-31G(2df,p)

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	-0.247
2	C	-0.247
3	C	-0.247
4	C	-0.247
5	H	0.125
6	H	0.122
7	H	0.125
8	H	0.122
9	H	0.125
10	H	0.122
11	H	0.125
12	H	0.122

<r²>	74.578
(<r²>)^1/2	8.636

All results from a given calculation for C4H8 (cyclobutane)

using model chemistry: HF/6-31G(2df,p)

States and conformations

All results from a given calculation for C₄H₈ (cyclobutane)