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	hartrees
Energy at 0K	-156.251623
Energy at 298.15K	-156.260553
HF Energy	-156.251623
Nuclear repulsion energy	124.538321

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3042	3022	0.00
2	A₁	3012	2992	0.00
3	A₁	1524	1514	0.00
4	A₁	1141	1133	0.00
5	A₁	952	946	0.00
6	A₁	152	151	0.00
7	A₂	1247	1239	0.00
8	A₂	980	974	0.00
9	B₁	1246	1238	0.00
10	B₁	1145	1137	0.00
11	B₁	883	877	0.00
12	B₂	3078	3058	87.11
13	B₂	3003	2983	6.00
14	B₂	1502	1492	3.09
15	B₂	862	856	0.24
16	B₂	636	632	4.08
17	E	3058	3038	10.92
17	E	3058	3038	10.92
18	E	3003	2984	69.33
18	E	3003	2984	69.34
19	E	1495	1485	1.28
19	E	1495	1485	1.28
20	E	1268	1260	1.23
20	E	1268	1260	1.23
21	E	1222	1214	1.80
21	E	1222	1214	1.80
22	E	857	851	2.65
22	E	857	851	2.65
23	E	733	728	0.20
23	E	733	728	0.20

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	1.112	0.113
C2	0.000	-1.112	0.113
C3	-1.112	0.000	-0.113
C4	1.112	0.000	-0.113
H5	0.000	1.471	1.154
H6	0.000	1.966	-0.579
H7	0.000	-1.471	1.154
H8	0.000	-1.966	-0.579
H9	-1.471	0.000	-1.154
H10	-1.966	0.000	0.579
H11	1.471	0.000	-1.154
H12	1.966	0.000	0.579

	C1	C2	C3	C4	H5	H6	H7	H8	H9	H10	H11	H12
C1		2.2246	1.5892	1.5892	1.1006	1.0991	2.7853	3.1549	2.2377	2.3062	2.2377	2.3062
C2	2.2246		1.5892	1.5892	2.7853	3.1549	1.1006	1.0991	2.2377	2.3062	2.2377	2.3062
C3	1.5892	1.5892		2.2246	2.2377	2.3062	2.2377	2.3062	1.1006	1.0991	2.7853	3.1549
C4	1.5892	1.5892	2.2246		2.2377	2.3062	2.2377	2.3062	2.7853	3.1549	1.1006	1.0991
H5	1.1006	2.7853	2.2377	2.2377		1.8020	2.9429	3.8493	3.1070	2.5217	3.1070	2.5217
H6	1.0991	3.1549	2.3062	2.3062	1.8020		3.8493	3.9314	2.5217	3.0117	2.5217	3.0117
H7	2.7853	1.1006	2.2377	2.2377	2.9429	3.8493		1.8020	3.1070	2.5217	3.1070	2.5217
H8	3.1549	1.0991	2.3062	2.3062	3.8493	3.9314	1.8020		2.5217	3.0117	2.5217	3.0117
H9	2.2377	2.2377	1.1006	2.7853	3.1070	2.5217	3.1070	2.5217		1.8020	2.9429	3.8493
H10	2.3062	2.3062	1.0991	3.1549	2.5217	3.0117	2.5217	3.0117	1.8020		3.8493	3.9314
H11	2.2377	2.2377	2.7853	1.1006	3.1070	2.5217	3.1070	2.5217	2.9429	3.8493		1.8020
H12	2.3062	2.3062	3.1549	1.0991	2.5217	3.0117	2.5217	3.0117	3.8493	3.9314	1.8020

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C2	88.837	C1	C3	H9	111.290
C1	C3	H10	116.982	C1	C4	C2	88.837
C1	C4	H11	111.290	C1	C4	H12	116.982
C2	C3	H9	111.290	C2	C3	H10	116.982
C2	C4	H11	111.290	C2	C4	H12	116.982
C3	C1	C4	88.837	C3	C1	H5	111.290
C3	C1	H6	116.982	C3	C2	C4	88.837
C3	C2	H7	111.290	C3	C2	H8	116.982
C4	C1	H5	111.290	C4	C1	H6	116.982
C4	C2	H7	111.290	C4	C2	H8	116.982
H5	C1	H6	110.009	H7	C2	H8	110.009
H9	C3	H10	110.009	H11	C4	H12	110.009

All results from a given calculation for C₄H₈ (cyclobutane)

using model chemistry: BLYP/3-21G*

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	-0.344
2	C	-0.344
3	C	-0.344
4	C	-0.344
5	H	0.178
6	H	0.167
7	H	0.178
8	H	0.167
9	H	0.178
10	H	0.167
11	H	0.178
12	H	0.167

<r²>	77.440
(<r²>)^1/2	8.800

All results from a given calculation for C4H8 (cyclobutane)

using model chemistry: BLYP/3-21G*

States and conformations

All results from a given calculation for C₄H₈ (cyclobutane)