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	hartrees
Energy at 0K	-157.271408
Energy at 298.15K	-157.280510
HF Energy	-157.271408
Nuclear repulsion energy	127.030692

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3077	2974	0.00
2	A₁	3050	2949	0.00
3	A₁	1523	1472	0.00
4	A₁	1178	1138	0.00
5	A₁	1011	978	0.00
6	A₁	186	179	0.00
7	A₂	1265	1223	0.00
8	A₂	964	932	0.00
9	B₁	1258	1216	0.00
10	B₁	1173	1134	0.00
11	B₁	939	908	0.00
12	B₂	3108	3005	105.09
13	B₂	3044	2943	9.51
14	B₂	1492	1443	3.18
15	B₂	886	856	0.00
16	B₂	638	617	2.51
17	E	3090	2987	20.59
17	E	3090	2987	20.59
18	E	3045	2944	83.52
18	E	3045	2944	83.52
19	E	1485	1436	0.91
19	E	1485	1436	0.91
20	E	1289	1247	1.36
20	E	1289	1247	1.36
21	E	1250	1209	0.32
21	E	1250	1209	0.32
22	E	911	881	2.23
22	E	911	881	2.23
23	E	753	728	0.20
23	E	753	728	0.20

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	1.083	0.122
C2	0.000	-1.083	0.122
C3	-1.083	0.000	-0.122
C4	1.083	0.000	-0.122
H5	0.000	1.424	1.158
H6	0.000	1.956	-0.529
H7	0.000	-1.424	1.158
H8	0.000	-1.956	-0.529
H9	-1.424	0.000	-1.158
H10	-1.956	0.000	0.529
H11	1.424	0.000	-1.158
H12	1.956	0.000	0.529

	C1	C2	C3	C4	H5	H6	H7	H8	H9	H10	H11	H12
C1		2.1655	1.5507	1.5507	1.0903	1.0893	2.7126	3.1077	2.2001	2.2723	2.2001	2.2723
C2	2.1655		1.5507	1.5507	2.7126	3.1077	1.0903	1.0893	2.2001	2.2723	2.2001	2.2723
C3	1.5507	1.5507		2.1655	2.2001	2.2723	2.2001	2.2723	1.0903	1.0893	2.7126	3.1077
C4	1.5507	1.5507	2.1655		2.2001	2.2723	2.2001	2.2723	2.7126	3.1077	1.0903	1.0893
H5	1.0903	2.7126	2.2001	2.2001		1.7683	2.8489	3.7778	3.0693	2.5002	3.0693	2.5002
H6	1.0893	3.1077	2.2723	2.2723	1.7683		3.7778	3.9120	2.5002	2.9614	2.5002	2.9614
H7	2.7126	1.0903	2.2001	2.2001	2.8489	3.7778		1.7683	3.0693	2.5002	3.0693	2.5002
H8	3.1077	1.0893	2.2723	2.2723	3.7778	3.9120	1.7683		2.5002	2.9614	2.5002	2.9614
H9	2.2001	2.2001	1.0903	2.7126	3.0693	2.5002	3.0693	2.5002		1.7683	2.8489	3.7778
H10	2.2723	2.2723	1.0893	3.1077	2.5002	2.9614	2.5002	2.9614	1.7683		3.7778	3.9120
H11	2.2001	2.2001	2.7126	1.0903	3.0693	2.5002	3.0693	2.5002	2.8489	3.7778		1.7683
H12	2.2723	2.2723	3.1077	1.0893	2.5002	2.9614	2.5002	2.9614	3.7778	3.9120	1.7683

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C2	88.571	C1	C3	H9	111.641
C1	C3	H10	117.733	C1	C4	C2	88.571
C1	C4	H11	111.641	C1	C4	H12	117.733
C2	C3	H9	111.641	C2	C3	H10	117.733
C2	C4	H11	111.641	C2	C4	H12	117.733
C3	C1	C4	88.571	C3	C1	H5	111.641
C3	C1	H6	117.733	C3	C2	C4	88.571
C3	C2	H7	111.641	C3	C2	H8	117.733
C4	C1	H5	111.641	C4	C1	H6	117.733
C4	C2	H7	111.641	C4	C2	H8	117.733
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: B3LYPultrafine/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>	75.297
(<r²>)^1/2	8.677

All results from a given calculation for C4H8 (cyclobutane)

using model chemistry: B3LYPultrafine/cc-pVTZ

States and conformations

All results from a given calculation for C₄H₈ (cyclobutane)