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	hartrees
Energy at 0K	-26.505609
Energy at 298.15K	-26.514887
HF Energy	-26.505609
Nuclear repulsion energy	71.193694

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3270	2948	0.00
2	A₁	3253	2932	0.00
3	A₁	1661	1497	0.00
4	A₁	1253	1129	0.00
5	A₁	1074	969	0.00
6	A₁	164	148	0.00
7	A₂	1406	1268	0.00
8	A₂	1044	941	0.00
9	B₁	1381	1245	0.00
10	B₁	1294	1167	0.00
11	B₁	1036	934	0.00
12	B₂	3319	2992	301.29
13	B₂	3224	2906	12.00
14	B₂	1622	1462	4.12
15	B₂	941	848	0.46
16	B₂	708	638	4.84
17	E	3291	2967	14.19
17	E	3291	2967	14.19
18	E	3232	2914	164.30
18	E	3232	2914	164.30
19	E	1623	1463	2.10
19	E	1623	1463	2.10
20	E	1429	1288	1.08
20	E	1429	1288	1.08
21	E	1355	1221	0.05
21	E	1355	1221	0.05
22	E	985	888	7.73
22	E	985	888	7.73
23	E	813	733	0.39
23	E	813	733	0.39

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	1.097	0.107
C2	0.000	-1.097	0.107
C3	-1.097	0.000	-0.107
C4	1.097	0.000	-0.107
H5	0.000	1.487	1.124
H6	0.000	1.938	-0.582
H7	0.000	-1.487	1.124
H8	0.000	-1.938	-0.582
H9	-1.487	0.000	-1.124
H10	-1.938	0.000	0.582
H11	1.487	0.000	-1.124
H12	1.938	0.000	0.582

	C1	C2	C3	C4	H5	H6	H7	H8	H9	H10	H11	H12
C1		2.1945	1.5665	1.5665	1.0891	1.0877	2.7774	3.1129	2.2210	2.2774	2.2210	2.2774
C2	2.1945		1.5665	1.5665	2.7774	3.1129	1.0891	1.0877	2.2210	2.2774	2.2210	2.2774
C3	1.5665	1.5665		2.1945	2.2210	2.2774	2.2210	2.2774	1.0891	1.0877	2.7774	3.1129
C4	1.5665	1.5665	2.1945		2.2210	2.2774	2.2210	2.2774	2.7774	3.1129	1.0891	1.0877
H5	1.0891	2.7774	2.2210	2.2210		1.7652	2.9746	3.8271	3.0789	2.5025	3.0789	2.5025
H6	1.0877	3.1129	2.2774	2.2774	1.7652		3.8271	3.8765	2.5025	2.9783	2.5025	2.9783
H7	2.7774	1.0891	2.2210	2.2210	2.9746	3.8271		1.7652	3.0789	2.5025	3.0789	2.5025
H8	3.1129	1.0877	2.2774	2.2774	3.8271	3.8765	1.7652		2.5025	2.9783	2.5025	2.9783
H9	2.2210	2.2210	1.0891	2.7774	3.0789	2.5025	3.0789	2.5025		1.7652	2.9746	3.8271
H10	2.2774	2.2774	1.0877	3.1129	2.5025	2.9783	2.5025	2.9783	1.7652		3.8271	3.8765
H11	2.2210	2.2210	2.7774	1.0891	3.0789	2.5025	3.0789	2.5025	2.9746	3.8271		1.7652
H12	2.2774	2.2774	3.1129	1.0877	2.5025	2.9783	2.5025	2.9783	3.8271	3.8765	1.7652

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C2	88.923	C1	C3	H9	112.264
C1	C3	H10	117.040	C1	C4	C2	88.923
C1	C4	H11	112.264	C1	C4	H12	117.040
C2	C3	H9	112.264	C2	C3	H10	117.040
C2	C4	H11	112.264	C2	C4	H12	117.040
C3	C1	C4	88.923	C3	C1	H5	112.264
C3	C1	H6	117.040	C3	C2	C4	88.923
C3	C2	H7	112.264	C3	C2	H8	117.040
C4	C1	H5	112.264	C4	C1	H6	117.040
C4	C2	H7	112.264	C4	C2	H8	117.040
H5	C1	H6	108.372	H7	C2	H8	108.372
H9	C3	H10	108.372	H11	C4	H12	108.372

All results from a given calculation for C₄H₈ (cyclobutane)

using model chemistry: HF/CEP-31G

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	-0.209
2	C	-0.209
3	C	-0.209
4	C	-0.209
5	H	0.087
6	H	0.122
7	H	0.087
8	H	0.122
9	H	0.087
10	H	0.122
11	H	0.087
12	H	0.122

<r²>	66.574
(<r²>)^1/2	8.159

All results from a given calculation for C4H8 (cyclobutane)

using model chemistry: HF/CEP-31G

States and conformations

All results from a given calculation for C₄H₈ (cyclobutane)