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	hartrees
Energy at 0K	-156.758494
Energy at 298.15K	-156.767659
HF Energy	-156.105821
Nuclear repulsion energy	126.252100

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3117	3002
2	A₁	3074	2961
3	A₁	1514	1458
4	A₁	1172	1129
5	A₁	1034	996
6	A₁	238	230
7	A₂	1242	1197
8	A₂	953	918
9	B₁	1260	1214
10	B₁	1160	1118
11	B₁	947	912
12	B₂	3143	3027
13	B₂	3063	2951
14	B₂	1475	1421
15	B₂	912	878
16	B₂	620	597
17	E	3128	3013
17	E	3128	3013
18	E	3066	2953
18	E	3066	2953
19	E	1469	1415
19	E	1469	1415
20	E	1289	1242
20	E	1289	1242
21	E	1244	1198
21	E	1244	1198
22	E	919	885
22	E	919	885
23	E	751	724
23	E	751	724

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	1.082	0.149
C2	0.000	-1.082	0.149
C3	-1.082	0.000	-0.149
C4	1.082	0.000	-0.149
H5	0.000	1.355	1.220
H6	0.000	2.006	-0.456
H7	0.000	-1.355	1.220
H8	0.000	-2.006	-0.456
H9	-1.355	0.000	-1.220
H10	-2.006	0.000	0.456
H11	1.355	0.000	-1.220
H12	2.006	0.000	0.456

	C1	C2	C3	C4	H5	H6	H7	H8	H9	H10	H11	H12
C1		2.1648	1.5593	1.5593	1.1059	1.1042	2.6624	3.1474	2.2093	2.3004	2.2093	2.3004
C2	2.1648		1.5593	1.5593	2.6624	3.1474	1.1059	1.1042	2.2093	2.3004	2.2093	2.3004
C3	1.5593	1.5593		2.1648	2.2093	2.3004	2.2093	2.3004	1.1059	1.1042	2.6624	3.1474
C4	1.5593	1.5593	2.1648		2.2093	2.3004	2.2093	2.3004	2.6624	3.1474	1.1059	1.1042
H5	1.1059	2.6624	2.2093	2.2093		1.7985	2.7096	3.7560	3.1030	2.5388	3.1030	2.5388
H6	1.1042	3.1474	2.3004	2.3004	1.7985		3.7560	4.0128	2.5388	2.9804	2.5388	2.9804
H7	2.6624	1.1059	2.2093	2.2093	2.7096	3.7560		1.7985	3.1030	2.5388	3.1030	2.5388
H8	3.1474	1.1042	2.3004	2.3004	3.7560	4.0128	1.7985		2.5388	2.9804	2.5388	2.9804
H9	2.2093	2.2093	1.1059	2.6624	3.1030	2.5388	3.1030	2.5388		1.7985	2.7096	3.7560
H10	2.3004	2.3004	1.1042	3.1474	2.5388	2.9804	2.5388	2.9804	1.7985		3.7560	4.0128
H11	2.2093	2.2093	2.6624	1.1059	3.1030	2.5388	3.1030	2.5388	2.7096	3.7560		1.7985
H12	2.3004	2.3004	3.1474	1.1042	2.5388	2.9804	2.5388	2.9804	3.7560	4.0128	1.7985

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C2	87.918	C1	C3	H9	110.837
C1	C3	H10	118.458	C1	C4	C2	87.918
C1	C4	H11	110.837	C1	C4	H12	118.458
C2	C3	H9	110.837	C2	C3	H10	118.458
C2	C4	H11	110.837	C2	C4	H12	118.458
C3	C1	C4	87.918	C3	C1	H5	110.837
C3	C1	H6	118.458	C3	C2	C4	87.918
C3	C2	H7	110.837	C3	C2	H8	118.458
C4	C1	H5	110.837	C4	C1	H6	118.458
C4	C2	H7	110.837	C4	C2	H8	118.458
H5	C1	H6	108.935	H7	C2	H8	108.935
H9	C3	H10	108.935	H11	C4	H12	108.935

All results from a given calculation for C₄H₈ (cyclobutane)

using model chemistry: CCSD(T)=FULL/cc-pVDZ

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: CCSD(T)=FULL/cc-pVDZ

States and conformations

All results from a given calculation for C₄H₈ (cyclobutane)