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	hartrees
Energy at 0K	-157.056453
Energy at 298.15K	-157.065604
HF Energy	-157.056453
Nuclear repulsion energy	127.378738

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3105	2980	0.00
2	A₁	3073	2949	0.00
3	A₁	1536	1474	0.00
4	A₁	1182	1134	0.00
5	A₁	1046	1003	0.00
6	A₁	208	199	0.00
7	A₂	1257	1206	0.00
8	A₂	974	935	0.00
9	B₁	1270	1218	0.00
10	B₁	1177	1130	0.00
11	B₁	969	930	0.00
12	B₂	3138	3011	119.33
13	B₂	3064	2940	11.57
14	B₂	1499	1439	5.56
15	B₂	899	862	0.02
16	B₂	634	609	3.35
17	E	3120	2993	24.19
17	E	3120	2993	24.19
18	E	3066	2942	88.95
18	E	3066	2942	88.95
19	E	1492	1432	1.94
19	E	1492	1432	1.94
20	E	1298	1246	3.15
20	E	1298	1246	3.15
21	E	1262	1211	0.58
21	E	1262	1211	0.58
22	E	937	899	3.79
22	E	937	899	3.79
23	E	760	730	0.42
23	E	760	730	0.42

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	1.076	0.131
C2	0.000	-1.076	0.131
C3	-1.076	0.000	-0.131
C4	1.076	0.000	-0.131
H5	0.000	1.394	1.177
H6	0.000	1.968	-0.500
H7	0.000	-1.394	1.177
H8	0.000	-1.968	-0.500
H9	-1.394	0.000	-1.177
H10	-1.968	0.000	0.500
H11	1.394	0.000	-1.177
H12	1.968	0.000	0.500

	C1	C2	C3	C4	H5	H6	H7	H8	H9	H10	H11	H12
C1		2.1515	1.5437	1.5437	1.0940	1.0928	2.6826	3.1082	2.1939	2.2728	2.1939	2.2728
C2	2.1515		1.5437	1.5437	2.6826	3.1082	1.0940	1.0928	2.1939	2.2728	2.1939	2.2728
C3	1.5437	1.5437		2.1515	2.1939	2.2728	2.1939	2.2728	1.0940	1.0928	2.6826	3.1082
C4	1.5437	1.5437	2.1515		2.1939	2.2728	2.1939	2.2728	2.6826	3.1082	1.0940	1.0928
H5	1.0940	2.6826	2.1939	2.1939		1.7732	2.7887	3.7575	3.0714	2.5049	3.0714	2.5049
H6	1.0928	3.1082	2.2728	2.2728	1.7732		3.7575	3.9354	2.5049	2.9573	2.5049	2.9573
H7	2.6826	1.0940	2.1939	2.1939	2.7887	3.7575		1.7732	3.0714	2.5049	3.0714	2.5049
H8	3.1082	1.0928	2.2728	2.2728	3.7575	3.9354	1.7732		2.5049	2.9573	2.5049	2.9573
H9	2.1939	2.1939	1.0940	2.6826	3.0714	2.5049	3.0714	2.5049		1.7732	2.7887	3.7575
H10	2.2728	2.2728	1.0928	3.1082	2.5049	2.9573	2.5049	2.9573	1.7732		3.7575	3.9354
H11	2.1939	2.1939	2.6826	1.0940	3.0714	2.5049	3.0714	2.5049	2.7887	3.7575		1.7732
H12	2.2728	2.2728	3.1082	1.0928	2.5049	2.9573	2.5049	2.9573	3.7575	3.9354	1.7732

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C2	88.352	C1	C3	H9	111.419
C1	C3	H10	118.088	C1	C4	C2	88.352
C1	C4	H11	111.419	C1	C4	H12	118.088
C2	C3	H9	111.419	C2	C3	H10	118.088
C2	C4	H11	111.419	C2	C4	H12	118.088
C3	C1	C4	88.352	C3	C1	H5	111.419
C3	C1	H6	118.088	C3	C2	C4	88.352
C3	C2	H7	111.419	C3	C2	H8	118.088
C4	C1	H5	111.419	C4	C1	H6	118.088
C4	C2	H7	111.419	C4	C2	H8	118.088
H5	C1	H6	108.360	H7	C2	H8	108.360
H9	C3	H10	108.360	H11	C4	H12	108.360

All results from a given calculation for C₄H₈ (cyclobutane)

using model chemistry: HSEh1PBE/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	-0.440
2	C	-0.440
3	C	-0.440
4	C	-0.440
5	H	0.222
6	H	0.218
7	H	0.222
8	H	0.218
9	H	0.222
10	H	0.218
11	H	0.222
12	H	0.218

<r²>	74.736
(<r²>)^1/2	8.645

All results from a given calculation for C4H8 (cyclobutane)

using model chemistry: HSEh1PBE/6-311G*

States and conformations

All results from a given calculation for C₄H₈ (cyclobutane)