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	hartrees
Energy at 0K	-157.006186
Energy at 298.15K
HF Energy	-156.829030
Nuclear repulsion energy	127.098785

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3137	2976	0.00
2	A₁	3103	2944	0.00
3	A₁	1572	1491	0.00
4	A₁	1208	1146	0.00
5	A₁	1041	987	0.00
6	A₁	215	204	0.00
7	A₂	1283	1217	0.00
8	A₂	981	931	0.00
9	B₁	1294	1227	0.00
10	B₁	1195	1134	0.00
11	B₁	965	915	0.00
12	B₂	3166	3004	101.41
13	B₂	3096	2937	10.09
14	B₂	1539	1460	3.63
15	B₂	914	867	0.02
16	B₂	643	610	2.67
17	E	3150	2989	20.44
17	E	3150	2989	20.44
18	E	3097	2938	74.40
18	E	3097	2938	74.40
19	E	1533	1454	0.13
19	E	1533	1454	0.13
20	E	1326	1258	0.60
20	E	1326	1258	0.60
21	E	1278	1213	0.27
21	E	1278	1213	0.27
22	E	938	890	2.40
22	E	938	890	2.40
23	E	773	733	0.54
23	E	773	733	0.54

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	1.079	0.135
C2	0.000	-1.079	0.135
C3	-1.079	0.000	-0.135
C4	1.079	0.000	-0.135
H5	0.000	1.389	1.183
H6	0.000	1.974	-0.493
H7	0.000	-1.389	1.183
H8	0.000	-1.974	-0.493
H9	-1.389	0.000	-1.183
H10	-1.974	0.000	0.493
H11	1.389	0.000	-1.183
H12	1.974	0.000	0.493

	C1	C2	C3	C4	H5	H6	H7	H8	H9	H10	H11	H12
C1		2.1575	1.5491	1.5491	1.0937	1.0930	2.6811	3.1163	2.1975	2.2777	2.1975	2.2777
C2	2.1575		1.5491	1.5491	2.6811	3.1163	1.0937	1.0930	2.1975	2.2777	2.1975	2.2777
C3	1.5491	1.5491		2.1575	2.1975	2.2777	2.1975	2.2777	1.0937	1.0930	2.6811	3.1163
C4	1.5491	1.5491	2.1575		2.1975	2.2777	2.1975	2.2777	2.6811	3.1163	1.0937	1.0930
H5	1.0937	2.6811	2.1975	2.1975		1.7754	2.7774	3.7571	3.0755	2.5103	3.0755	2.5103
H6	1.0930	3.1163	2.2777	2.2777	1.7754		3.7571	3.9476	2.5103	2.9603	2.5103	2.9603
H7	2.6811	1.0937	2.1975	2.1975	2.7774	3.7571		1.7754	3.0755	2.5103	3.0755	2.5103
H8	3.1163	1.0930	2.2777	2.2777	3.7571	3.9476	1.7754		2.5103	2.9603	2.5103	2.9603
H9	2.1975	2.1975	1.0937	2.6811	3.0755	2.5103	3.0755	2.5103		1.7754	2.7774	3.7571
H10	2.2777	2.2777	1.0930	3.1163	2.5103	2.9603	2.5103	2.9603	1.7754		3.7571	3.9476
H11	2.1975	2.1975	2.6811	1.0937	3.0755	2.5103	3.0755	2.5103	2.7774	3.7571		1.7754
H12	2.2777	2.2777	3.1163	1.0930	2.5103	2.9603	2.5103	2.9603	3.7571	3.9476	1.7754

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C2	88.271	C1	C3	H9	111.341
C1	C3	H10	118.072	C1	C4	C2	88.271
C1	C4	H11	111.341	C1	C4	H12	118.072
C2	C3	H9	111.341	C2	C3	H10	118.072
C2	C4	H11	111.341	C2	C4	H12	118.072
C3	C1	C4	88.271	C3	C1	H5	111.341
C3	C1	H6	118.072	C3	C2	C4	88.271
C3	C2	H7	111.341	C3	C2	H8	118.072
C4	C1	H5	111.341	C4	C1	H6	118.072
C4	C2	H7	111.341	C4	C2	H8	118.072
H5	C1	H6	108.560	H7	C2	H8	108.560
H9	C3	H10	108.560	H11	C4	H12	108.560

All results from a given calculation for C₄H₈ (cyclobutane)

using model chemistry: B2PLYP=FULLultrafine/6-31G*

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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All results from a given calculation for C4H8 (cyclobutane)

using model chemistry: B2PLYP=FULLultrafine/6-31G*

States and conformations

All results from a given calculation for C₄H₈ (cyclobutane)