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	hartrees
Energy at 0K	-156.048738
Energy at 298.15K	-156.058041
HF Energy	-156.048738
Nuclear repulsion energy	126.691319

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3277	2951	0.00
2	A₁	3249	2925	0.00
3	A₁	1667	1501	0.00
4	A₁	1302	1172	0.00
5	A₁	1073	966	0.00
6	A₁	164	148	0.00
7	A₂	1421	1280	0.00
8	A₂	1056	951	0.00
9	B₁	1385	1247	0.00
10	B₁	1300	1170	0.00
11	B₁	1036	933	0.00
12	B₂	3315	2984	199.56
13	B₂	3223	2902	13.20
14	B₂	1636	1473	3.83
15	B₂	949	855	0.57
16	B₂	720	648	4.92
17	E	3291	2963	16.44
17	E	3291	2963	16.44
18	E	3231	2909	134.01
18	E	3231	2909	134.01
19	E	1635	1472	3.74
19	E	1635	1472	3.74
20	E	1434	1291	2.14
20	E	1434	1291	2.14
21	E	1364	1228	0.08
21	E	1364	1228	0.08
22	E	986	888	8.18
22	E	986	888	8.18
23	E	831	748	0.13
23	E	831	748	0.13

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	1.092	0.104
C2	0.000	-1.092	0.104
C3	-1.092	0.000	-0.104
C4	1.092	0.000	-0.104
H5	0.000	1.486	1.113
H6	0.000	1.924	-0.587
H7	0.000	-1.486	1.113
H8	0.000	-1.924	-0.587
H9	-1.486	0.000	-1.113
H10	-1.924	0.000	0.587
H11	1.486	0.000	-1.113
H12	1.924	0.000	0.587

	C1	C2	C3	C4	H5	H6	H7	H8	H9	H10	H11	H12
C1		2.1847	1.5588	1.5588	1.0830	1.0818	2.7690	3.0950	2.2097	2.2650	2.2097	2.2650
C2	2.1847		1.5588	1.5588	2.7690	3.0950	1.0830	1.0818	2.2097	2.2650	2.2097	2.2650
C3	1.5588	1.5588		2.1847	2.2097	2.2650	2.2097	2.2650	1.0830	1.0818	2.7690	3.0950
C4	1.5588	1.5588	2.1847		2.2097	2.2650	2.2097	2.2650	2.7690	3.0950	1.0830	1.0818
H5	1.0830	2.7690	2.2097	2.2097		1.7557	2.9726	3.8110	3.0612	2.4876	3.0612	2.4876
H6	1.0818	3.0950	2.2650	2.2650	1.7557		3.8110	3.8488	2.4876	2.9643	2.4876	2.9643
H7	2.7690	1.0830	2.2097	2.2097	2.9726	3.8110		1.7557	3.0612	2.4876	3.0612	2.4876
H8	3.0950	1.0818	2.2650	2.2650	3.8110	3.8488	1.7557		2.4876	2.9643	2.4876	2.9643
H9	2.2097	2.2097	1.0830	2.7690	3.0612	2.4876	3.0612	2.4876		1.7557	2.9726	3.8110
H10	2.2650	2.2650	1.0818	3.0950	2.4876	2.9643	2.4876	2.9643	1.7557		3.8110	3.8488
H11	2.2097	2.2097	2.7690	1.0830	3.0612	2.4876	3.0612	2.4876	2.9726	3.8110		1.7557
H12	2.2650	2.2650	3.0950	1.0818	2.4876	2.9643	2.4876	2.9643	3.8110	3.8488	1.7557

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C2	88.981	C1	C3	H9	112.279
C1	C3	H10	116.986	C1	C4	C2	88.981
C1	C4	H11	112.279	C1	C4	H12	116.986
C2	C3	H9	112.279	C2	C3	H10	116.986
C2	C4	H11	112.279	C2	C4	H12	116.986
C3	C1	C4	88.981	C3	C1	H5	112.279
C3	C1	H6	116.986	C3	C2	C4	88.981
C3	C2	H7	112.279	C3	C2	H8	116.986
C4	C1	H5	112.279	C4	C1	H6	116.986
C4	C2	H7	112.279	C4	C2	H8	116.986
H5	C1	H6	108.395	H7	C2	H8	108.395
H9	C3	H10	108.395	H11	C4	H12	108.395

All results from a given calculation for C₄H₈ (cyclobutane)

using model chemistry: HF/SDD

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	-0.356
2	C	-0.356
3	C	-0.356
4	C	-0.356
5	H	0.177
6	H	0.180
7	H	0.177
8	H	0.180
9	H	0.177
10	H	0.180
11	H	0.177
12	H	0.180

<r²>	75.769
(<r²>)^1/2	8.705

All results from a given calculation for C4H8 (cyclobutane)

using model chemistry: HF/SDD

States and conformations

All results from a given calculation for C₄H₈ (cyclobutane)