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	hartrees
Energy at 0K	-157.271413
Energy at 298.15K	-157.280531
HF Energy	-157.271413
Nuclear repulsion energy	127.035022

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3077	2975	0.00
2	A₁	3051	2949	0.00
3	A₁	1524	1473	0.00
4	A₁	1179	1139	0.00
5	A₁	1012	978	0.00
6	A₁	194	188	0.00
7	A₂	1265	1222	0.00
8	A₂	965	933	0.00
9	B₁	1259	1217	0.00
10	B₁	1170	1131	0.00
11	B₁	940	908	0.00
12	B₂	3109	3005	105.31
13	B₂	3045	2943	9.33
14	B₂	1494	1444	3.20
15	B₂	887	857	0.00
16	B₂	640	619	2.51
17	E	3091	2988	19.93
17	E	3091	2988	19.93
18	E	3046	2944	84.19
18	E	3046	2944	84.19
19	E	1486	1437	0.90
19	E	1486	1437	0.90
20	E	1289	1246	1.34
20	E	1289	1246	1.34
21	E	1249	1208	0.35
21	E	1249	1208	0.35
22	E	912	881	2.25
22	E	912	881	2.25
23	E	755	730	0.20
23	E	755	730	0.20

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	1.083	0.123
C2	0.000	-1.083	0.123
C3	-1.083	0.000	-0.123
C4	1.083	0.000	-0.123
H5	0.000	1.423	1.159
H6	0.000	1.957	-0.527
H7	0.000	-1.423	1.159
H8	0.000	-1.957	-0.527
H9	-1.423	0.000	-1.159
H10	-1.957	0.000	0.527
H11	1.423	0.000	-1.159
H12	1.957	0.000	0.527

	C1	C2	C3	C4	H5	H6	H7	H8	H9	H10	H11	H12
C1		2.1653	1.5507	1.5507	1.0903	1.0893	2.7114	3.1080	2.1999	2.2725	2.1999	2.2725
C2	2.1653		1.5507	1.5507	2.7114	3.1080	1.0903	1.0893	2.1999	2.2725	2.1999	2.2725
C3	1.5507	1.5507		2.1653	2.1999	2.2725	2.1999	2.2725	1.0903	1.0893	2.7114	3.1080
C4	1.5507	1.5507	2.1653		2.1999	2.2725	2.1999	2.2725	2.7114	3.1080	1.0903	1.0893
H5	1.0903	2.7114	2.1999	2.1999		1.7684	2.8462	3.7769	3.0693	2.5005	3.0693	2.5005
H6	1.0893	3.1080	2.2725	2.2725	1.7684		3.7769	3.9133	2.5005	2.9613	2.5005	2.9613
H7	2.7114	1.0903	2.1999	2.1999	2.8462	3.7769		1.7684	3.0693	2.5005	3.0693	2.5005
H8	3.1080	1.0893	2.2725	2.2725	3.7769	3.9133	1.7684		2.5005	2.9613	2.5005	2.9613
H9	2.1999	2.1999	1.0903	2.7114	3.0693	2.5005	3.0693	2.5005		1.7684	2.8462	3.7769
H10	2.2725	2.2725	1.0893	3.1080	2.5005	2.9613	2.5005	2.9613	1.7684		3.7769	3.9133
H11	2.1999	2.1999	2.7114	1.0903	3.0693	2.5005	3.0693	2.5005	2.8462	3.7769		1.7684
H12	2.2725	2.2725	3.1080	1.0893	2.5005	2.9613	2.5005	2.9613	3.7769	3.9133	1.7684

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C2	88.561	C1	C3	H9	111.627
C1	C3	H10	117.747	C1	C4	C2	88.561
C1	C4	H11	111.627	C1	C4	H12	117.747
C2	C3	H9	111.627	C2	C3	H10	117.747
C2	C4	H11	111.627	C2	C4	H12	117.747
C3	C1	C4	88.561	C3	C1	H5	111.627
C3	C1	H6	117.747	C3	C2	C4	88.561
C3	C2	H7	111.627	C3	C2	H8	117.747
C4	C1	H5	111.627	C4	C1	H6	117.747
C4	C2	H7	111.627	C4	C2	H8	117.747
H5	C1	H6	108.451	H7	C2	H8	108.451
H9	C3	H10	108.451	H11	C4	H12	108.451

All results from a given calculation for C₄H₈ (cyclobutane)

using model chemistry: B3LYP/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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Number	Element	Mulliken
1	C	-0.172
2	C	-0.172
3	C	-0.172
4	C	-0.172
5	H	0.084
6	H	0.088
7	H	0.084
8	H	0.088
9	H	0.084
10	H	0.088
11	H	0.084
12	H	0.088

<r²>	75.290
(<r²>)^1/2	8.677

All results from a given calculation for C4H8 (cyclobutane)

using model chemistry: B3LYP/cc-pVTZ

States and conformations

All results from a given calculation for C₄H₈ (cyclobutane)