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	hartrees
Energy at 0K	-156.858315
Energy at 298.15K	-156.853187
HF Energy	-156.095259
Nuclear repulsion energy	127.290843

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3246	3246	0.00
2	A₁	3220	3220	0.00
3	A₁	1666	1666	0.00
4	A₁	1284	1284	0.00
5	A₁	1080	1080	0.00
6	A₁	202	202	0.00
7	A₂	1373	1373	0.00
8	A₂	1037	1037	0.00
9	B₁	1386	1386	0.00
10	B₁	1281	1281	0.00
11	B₁	1010	1010	0.00
12	B₂	3279	3279	146.96
13	B₂	3205	3205	12.13
14	B₂	1620	1620	2.83
15	B₂	960	960	0.17
16	B₂	683	683	1.78
17	E	3259	3259	24.89
17	E	3259	3259	24.89
18	E	3210	3210	102.24
18	E	3210	3210	102.24
19	E	1621	1621	0.02
19	E	1621	1621	0.02
20	E	1425	1425	0.19
20	E	1425	1425	0.19
21	E	1359	1359	0.06
21	E	1359	1359	0.06
22	E	982	982	2.75
22	E	982	982	2.75
23	E	806	806	0.29
23	E	806	806	0.29

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	1.080	0.124
C2	0.000	-1.080	0.124
C3	-1.080	0.000	-0.124
C4	1.080	0.000	-0.124
H5	0.000	1.418	1.158
H6	0.000	1.954	-0.523
H7	0.000	-1.418	1.158
H8	0.000	-1.954	-0.523
H9	-1.418	0.000	-1.158
H10	-1.954	0.000	0.523
H11	1.418	0.000	-1.158
H12	1.954	0.000	0.523

	C1	C2	C3	C4	H5	H6	H7	H8	H9	H10	H11	H12
C1		2.1610	1.5480	1.5480	1.0875	1.0867	2.7041	3.1023	2.1957	2.2679	2.1957	2.2679
C2	2.1610		1.5480	1.5480	2.7041	3.1023	1.0875	1.0867	2.1957	2.2679	2.1957	2.2679
C3	1.5480	1.5480		2.1610	2.1957	2.2679	2.1957	2.2679	1.0875	1.0867	2.7041	3.1023
C4	1.5480	1.5480	2.1610		2.1957	2.2679	2.1957	2.2679	2.7041	3.1023	1.0875	1.0867
H5	1.0875	2.7041	2.1957	2.1957		1.7640	2.8365	3.7675	3.0632	2.4961	3.0632	2.4961
H6	1.0867	3.1023	2.2679	2.2679	1.7640		3.7675	3.9071	2.4961	2.9542	2.4961	2.9542
H7	2.7041	1.0875	2.1957	2.1957	2.8365	3.7675		1.7640	3.0632	2.4961	3.0632	2.4961
H8	3.1023	1.0867	2.2679	2.2679	3.7675	3.9071	1.7640		2.4961	2.9542	2.4961	2.9542
H9	2.1957	2.1957	1.0875	2.7041	3.0632	2.4961	3.0632	2.4961		1.7640	2.8365	3.7675
H10	2.2679	2.2679	1.0867	3.1023	2.4961	2.9542	2.4961	2.9542	1.7640		3.7675	3.9071
H11	2.1957	2.1957	2.7041	1.0875	3.0632	2.4961	3.0632	2.4961	2.8365	3.7675		1.7640
H12	2.2679	2.2679	3.1023	1.0867	2.4961	2.9542	2.4961	2.9542	3.7675	3.9071	1.7640

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C2	88.532	C1	C3	H9	111.650
C1	C3	H10	117.741	C1	C4	C2	88.532
C1	C4	H11	111.650	C1	C4	H12	117.741
C2	C3	H9	111.650	C2	C3	H10	117.741
C2	C4	H11	111.650	C2	C4	H12	117.741
C3	C1	C4	88.532	C3	C1	H5	111.650
C3	C1	H6	117.741	C3	C2	C4	88.532
C3	C2	H7	111.650	C3	C2	H8	117.741
C4	C1	H5	111.650	C4	C1	H6	117.741
C4	C2	H7	111.650	C4	C2	H8	117.741
H5	C1	H6	108.448	H7	C2	H8	108.448
H9	C3	H10	108.448	H11	C4	H12	108.448

All results from a given calculation for C₄H₈ (cyclobutane)

using model chemistry: CBS-Q

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: CBS-Q

States and conformations

All results from a given calculation for C₄H₈ (cyclobutane)