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	hartrees
Energy at 0K	-157.069598
Energy at 298.15K	-157.064462
HF Energy	-157.225997
Nuclear repulsion energy	126.730616

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3089	2981	0.00
2	A₁	3059	2952	0.00
3	A₁	1519	1466	0.00
4	A₁	1177	1136	0.00
5	A₁	1018	983	0.00
6	A₁	192	186	0.00
7	A₂	1257	1213	0.00
8	A₂	960	927	0.00
9	B₁	1262	1218	0.00
10	B₁	1168	1128	0.00
11	B₁	946	913	0.00
12	B₂	3120	3011	97.82
13	B₂	3051	2944	8.97
14	B₂	1490	1438	2.51
15	B₂	887	856	0.03
16	B₂	636	614	2.78
17	E	3103	2994	17.83
17	E	3103	2994	17.83
18	E	3052	2945	79.51
18	E	3052	2945	79.51
19	E	1482	1430	0.04
19	E	1482	1430	0.04
20	E	1292	1247	0.10
20	E	1292	1247	0.10
21	E	1250	1206	0.17
21	E	1250	1206	0.17
22	E	918	886	1.56
22	E	918	886	1.56
23	E	750	724	0.36
23	E	750	724	0.36

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	1.084	0.125
C2	0.000	-1.084	0.125
C3	-1.084	0.000	-0.125
C4	1.084	0.000	-0.125
H5	0.000	1.423	1.165
H6	0.000	1.964	-0.523
H7	0.000	-1.423	1.165
H8	0.000	-1.964	-0.523
H9	-1.423	0.000	-1.165
H10	-1.964	0.000	0.523
H11	1.423	0.000	-1.165
H12	1.964	0.000	0.523

	C1	C2	C3	C4	H5	H6	H7	H8	H9	H10	H11	H12
C1		2.1690	1.5538	1.5538	1.0942	1.0929	2.7147	3.1171	2.2056	2.2791	2.2056	2.2791
C2	2.1690		1.5538	1.5538	2.7147	3.1171	1.0942	1.0929	2.2056	2.2791	2.2056	2.2791
C3	1.5538	1.5538		2.1690	2.2056	2.2791	2.2056	2.2791	1.0942	1.0929	2.7147	3.1171
C4	1.5538	1.5538	2.1690		2.2056	2.2791	2.2056	2.2791	2.7147	3.1171	1.0942	1.0929
H5	1.0942	2.7147	2.2056	2.2056		1.7734	2.8457	3.7849	3.0791	2.5091	3.0791	2.5091
H6	1.0929	3.1171	2.2791	2.2791	1.7734		3.7849	3.9289	2.5091	2.9688	2.5091	2.9688
H7	2.7147	1.0942	2.2056	2.2056	2.8457	3.7849		1.7734	3.0791	2.5091	3.0791	2.5091
H8	3.1171	1.0929	2.2791	2.2791	3.7849	3.9289	1.7734		2.5091	2.9688	2.5091	2.9688
H9	2.2056	2.2056	1.0942	2.7147	3.0791	2.5091	3.0791	2.5091		1.7734	2.8457	3.7849
H10	2.2791	2.2791	1.0929	3.1171	2.5091	2.9688	2.5091	2.9688	1.7734		3.7849	3.9289
H11	2.2056	2.2056	2.7147	1.0942	3.0791	2.5091	3.0791	2.5091	2.8457	3.7849		1.7734
H12	2.2791	2.2791	3.1171	1.0929	2.5091	2.9688	2.5091	2.9688	3.7849	3.9289	1.7734

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C2	88.561	C1	C3	H9	111.613
C1	C3	H10	117.831	C1	C4	C2	88.561
C1	C4	H11	111.613	C1	C4	H12	117.831
C2	C3	H9	111.613	C2	C3	H10	117.831
C2	C4	H11	111.613	C2	C4	H12	117.831
C3	C1	C4	88.561	C3	C1	H5	111.613
C3	C1	H6	117.831	C3	C2	C4	88.561
C3	C2	H7	111.613	C3	C2	H8	117.831
C4	C1	H5	111.613	C4	C1	H6	117.831
C4	C2	H7	111.613	C4	C2	H8	117.831
H5	C1	H6	108.336	H7	C2	H8	108.336
H9	C3	H10	108.336	H11	C4	H12	108.336

All results from a given calculation for C₄H₈ (cyclobutane)

using model chemistry: G4

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	-0.192
2	C	-0.192
3	C	-0.192
4	C	-0.192
5	H	0.099
6	H	0.093
7	H	0.099
8	H	0.093
9	H	0.099
10	H	0.093
11	H	0.099
12	H	0.093

<r²>	75.180
(<r²>)^1/2	8.671

All results from a given calculation for C4H8 (cyclobutane)

using model chemistry: G4

States and conformations

All results from a given calculation for C₄H₈ (cyclobutane)