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	hartrees
Energy at 0K	-156.788061
Energy at 298.15K	-156.797198
HF Energy	-156.111336
Nuclear repulsion energy	126.009982

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3095	3006
2	A₁	3050	2962
3	A₁	1510	1466
4	A₁	1165	1131
5	A₁	1019	990
6	A₁	233	226
7	A₂	1233	1197
8	A₂	945	918
9	B₁	1244	1208
10	B₁	1151	1118
11	B₁	936	909
12	B₂	3121	3032
13	B₂	3042	2955
14	B₂	1473	1431
15	B₂	902	876
16	B₂	616	598
17	E	3106	3017
17	E	3106	3017
18	E	3044	2956
18	E	3044	2956
19	E	1466	1424
19	E	1466	1424
20	E	1270	1234
20	E	1270	1234
21	E	1235	1200
21	E	1235	1200
22	E	907	881
22	E	907	881
23	E	743	722
23	E	743	722

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	1.087	0.145
C2	0.000	-1.087	0.145
C3	-1.087	0.000	-0.145
C4	1.087	0.000	-0.145
H5	0.000	1.368	1.213
H6	0.000	2.002	-0.470
H7	0.000	-1.368	1.213
H8	0.000	-2.002	-0.470
H9	-1.368	0.000	-1.213
H10	-2.002	0.000	0.470
H11	1.368	0.000	-1.213
H12	2.002	0.000	0.470

	C1	C2	C3	C4	H5	H6	H7	H8	H9	H10	H11	H12
C1		2.1735	1.5640	1.5640	1.1045	1.1028	2.6767	3.1494	2.2128	2.3010	2.2128	2.3010
C2	2.1735		1.5640	1.5640	2.6767	3.1494	1.1045	1.1028	2.2128	2.3010	2.2128	2.3010
C3	1.5640	1.5640		2.1735	2.2128	2.3010	2.2128	2.3010	1.1045	1.1028	2.6767	3.1494
C4	1.5640	1.5640	2.1735		2.2128	2.3010	2.2128	2.3010	2.6767	3.1494	1.1045	1.1028
H5	1.1045	2.6767	2.2128	2.2128		1.7990	2.7351	3.7666	3.1031	2.5359	3.1031	2.5359
H6	1.1028	3.1494	2.3010	2.3010	1.7990		3.7666	4.0041	2.5359	2.9833	2.5359	2.9833
H7	2.6767	1.1045	2.2128	2.2128	2.7351	3.7666		1.7990	3.1031	2.5359	3.1031	2.5359
H8	3.1494	1.1028	2.3010	2.3010	3.7666	4.0041	1.7990		2.5359	2.9833	2.5359	2.9833
H9	2.2128	2.2128	1.1045	2.6767	3.1031	2.5359	3.1031	2.5359		1.7990	2.7351	3.7666
H10	2.3010	2.3010	1.1028	3.1494	2.5359	2.9833	2.5359	2.9833	1.7990		3.7666	4.0041
H11	2.2128	2.2128	2.6767	1.1045	3.1031	2.5359	3.1031	2.5359	2.7351	3.7666		1.7990
H12	2.3010	2.3010	3.1494	1.1028	2.5359	2.9833	2.5359	2.9833	3.7666	4.0041	1.7990

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C2	88.027	C1	C3	H9	110.859
C1	C3	H10	118.243	C1	C4	C2	88.027
C1	C4	H11	110.859	C1	C4	H12	118.243
C2	C3	H9	110.859	C2	C3	H10	118.243
C2	C4	H11	110.859	C2	C4	H12	118.243
C3	C1	C4	88.027	C3	C1	H5	110.859
C3	C1	H6	118.243	C3	C2	C4	88.027
C3	C2	H7	110.859	C3	C2	H8	118.243
C4	C1	H5	110.859	C4	C1	H6	118.243
C4	C2	H7	110.859	C4	C2	H8	118.243
H5	C1	H6	109.176	H7	C2	H8	109.176
H9	C3	H10	109.176	H11	C4	H12	109.176

All results from a given calculation for C₄H₈ (cyclobutane)

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

States and conformations

All results from a given calculation for C₄H₈ (cyclobutane)