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	hartrees
Energy at 0K	-156.744310
Energy at 298.15K	-156.753492
HF Energy	-156.121903
Nuclear repulsion energy	126.593565

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3081	2966
2	A₁	3045	2932
3	A₁	1549	1492
4	A₁	1193	1149
5	A₁	1032	994
6	A₁	239	230
7	A₂	1250	1203
8	A₂	965	929
9	B₁	1267	1220
10	B₁	1170	1126
11	B₁	950	915
12	B₂	3111	2995
13	B₂	3036	2923
14	B₂	1515	1458
15	B₂	910	877
16	B₂	631	607
17	E	3093	2978
17	E	3093	2978
18	E	3038	2925
18	E	3038	2925
19	E	1507	1451
19	E	1507	1451
20	E	1300	1251
20	E	1300	1251
21	E	1256	1209
21	E	1256	1209
22	E	921	887
22	E	921	887
23	E	762	733
23	E	762	733

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	1.082	0.143
C2	0.000	-1.082	0.143
C3	-1.082	0.000	-0.143
C4	1.082	0.000	-0.143
H5	0.000	1.372	1.203
H6	0.000	1.990	-0.473
H7	0.000	-1.372	1.203
H8	0.000	-1.990	-0.473
H9	-1.372	0.000	-1.203
H10	-1.990	0.000	0.473
H11	1.372	0.000	-1.203
H12	1.990	0.000	0.473

	C1	C2	C3	C4	H5	H6	H7	H8	H9	H10	H11	H12
C1		2.1638	1.5564	1.5564	1.0987	1.0974	2.6727	3.1331	2.2050	2.2891	2.2050	2.2891
C2	2.1638		1.5564	1.5564	2.6727	3.1331	1.0987	1.0974	2.2050	2.2891	2.2050	2.2891
C3	1.5564	1.5564		2.1638	2.2050	2.2891	2.2050	2.2891	1.0987	1.0974	2.6727	3.1331
C4	1.5564	1.5564	2.1638		2.2050	2.2891	2.2050	2.2891	2.6727	3.1331	1.0987	1.0974
H5	1.0987	2.6727	2.2050	2.2050		1.7864	2.7435	3.7564	3.0899	2.5246	3.0899	2.5246
H6	1.0974	3.1331	2.2891	2.2891	1.7864		3.7564	3.9800	2.5246	2.9693	2.5246	2.9693
H7	2.6727	1.0987	2.2050	2.2050	2.7435	3.7564		1.7864	3.0899	2.5246	3.0899	2.5246
H8	3.1331	1.0974	2.2891	2.2891	3.7564	3.9800	1.7864		2.5246	2.9693	2.5246	2.9693
H9	2.2050	2.2050	1.0987	2.6727	3.0899	2.5246	3.0899	2.5246		1.7864	2.7435	3.7564
H10	2.2891	2.2891	1.0974	3.1331	2.5246	2.9693	2.5246	2.9693	1.7864		3.7564	3.9800
H11	2.2050	2.2050	2.6727	1.0987	3.0899	2.5246	3.0899	2.5246	2.7435	3.7564		1.7864
H12	2.2891	2.2891	3.1331	1.0974	2.5246	2.9693	2.5246	2.9693	3.7564	3.9800	1.7864

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C2	88.071	C1	C3	H9	111.121
C1	C3	H10	118.176	C1	C4	C2	88.071
C1	C4	H11	111.121	C1	C4	H12	118.176
C2	C3	H9	111.121	C2	C3	H10	118.176
C2	C4	H11	111.121	C2	C4	H12	118.176
C3	C1	C4	88.071	C3	C1	H5	111.121
C3	C1	H6	118.176	C3	C2	C4	88.071
C3	C2	H7	111.121	C3	C2	H8	118.176
C4	C1	H5	111.121	C4	C1	H6	118.176
C4	C2	H7	111.121	C4	C2	H8	118.176
H5	C1	H6	108.861	H7	C2	H8	108.861
H9	C3	H10	108.861	H11	C4	H12	108.861

All results from a given calculation for C₄H₈ (cyclobutane)

using model chemistry: QCISD(T)/6-311G*

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: QCISD(T)/6-311G*

States and conformations

All results from a given calculation for C₄H₈ (cyclobutane)