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	hartrees
Energy at 0K	-156.729788
Energy at 298.15K	-156.738973
HF Energy	-156.106068
Nuclear repulsion energy	126.329314

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3127	3000	0.00
2	A₁	3086	2960	0.00
3	A₁	1524	1462	0.00
4	A₁	1183	1135	0.00
5	A₁	1042	1000	0.00
6	A₁	232	223	0.00
7	A₂	1256	1205	0.00
8	A₂	961	922	0.00
9	B₁	1272	1220	0.00
10	B₁	1173	1125	0.00
11	B₁	957	918	0.00
12	B₂	3153	3025	90.74
13	B₂	3075	2950	16.86
14	B₂	1484	1424	3.93
15	B₂	915	878	0.09
16	B₂	627	601	1.87
17	E	3137	3010	23.62
17	E	3137	3010	23.62
18	E	3077	2952	66.14
18	E	3077	2952	66.14
19	E	1479	1419	0.20
19	E	1479	1419	0.20
20	E	1304	1251	0.32
20	E	1304	1251	0.32
21	E	1254	1203	0.12
21	E	1254	1203	0.12
22	E	928	891	1.81
22	E	928	891	1.81
23	E	758	727	0.19
23	E	758	727	0.19

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	1.082	0.145
C2	0.000	-1.082	0.145
C3	-1.082	0.000	-0.145
C4	1.082	0.000	-0.145
H5	0.000	1.365	1.214
H6	0.000	2.001	-0.467
H7	0.000	-1.365	1.214
H8	0.000	-2.001	-0.467
H9	-1.365	0.000	-1.214
H10	-2.001	0.000	0.467
H11	1.365	0.000	-1.214
H12	2.001	0.000	0.467

	C1	C2	C3	C4	H5	H6	H7	H8	H9	H10	H11	H12
C1		2.1644	1.5577	1.5577	1.1053	1.1037	2.6702	3.1430	2.2090	2.2973	2.2090	2.2973
C2	2.1644		1.5577	1.5577	2.6702	3.1430	1.1053	1.1037	2.2090	2.2973	2.2090	2.2973
C3	1.5577	1.5577		2.1644	2.2090	2.2973	2.2090	2.2973	1.1053	1.1037	2.6702	3.1430
C4	1.5577	1.5577	2.1644		2.2090	2.2973	2.2090	2.2973	2.6702	3.1430	1.1053	1.1037
H5	1.1053	2.6702	2.2090	2.2090		1.7969	2.7298	3.7618	3.1011	2.5343	3.1011	2.5343
H6	1.1037	3.1430	2.2973	2.2973	1.7969		3.7618	4.0013	2.5343	2.9796	2.5343	2.9796
H7	2.6702	1.1053	2.2090	2.2090	2.7298	3.7618		1.7969	3.1011	2.5343	3.1011	2.5343
H8	3.1430	1.1037	2.2973	2.2973	3.7618	4.0013	1.7969		2.5343	2.9796	2.5343	2.9796
H9	2.2090	2.2090	1.1053	2.6702	3.1011	2.5343	3.1011	2.5343		1.7969	2.7298	3.7618
H10	2.2973	2.2973	1.1037	3.1430	2.5343	2.9796	2.5343	2.9796	1.7969		3.7618	4.0013
H11	2.2090	2.2090	2.6702	1.1053	3.1011	2.5343	3.1011	2.5343	2.7298	3.7618		1.7969
H12	2.2973	2.2973	3.1430	1.1037	2.5343	2.9796	2.5343	2.9796	3.7618	4.0013	1.7969

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C2	88.014	C1	C3	H9	110.957
C1	C3	H10	118.352	C1	C4	C2	88.014
C1	C4	H11	110.957	C1	C4	H12	118.352
C2	C3	H9	110.957	C2	C3	H10	118.352
C2	C4	H11	110.957	C2	C4	H12	118.352
C3	C1	C4	88.014	C3	C1	H5	110.957
C3	C1	H6	118.352	C3	C2	C4	88.014
C3	C2	H7	110.957	C3	C2	H8	118.352
C4	C1	H5	110.957	C4	C1	H6	118.352
C4	C2	H7	110.957	C4	C2	H8	118.352
H5	C1	H6	108.862	H7	C2	H8	108.862
H9	C3	H10	108.862	H11	C4	H12	108.862

All results from a given calculation for C₄H₈ (cyclobutane)

using model chemistry: QCISD/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: QCISD/cc-pVDZ

States and conformations

All results from a given calculation for C₄H₈ (cyclobutane)