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	hartrees
Energy at 0K	-155.641687
Energy at 298.15K	-155.650807
HF Energy	-155.229092
Nuclear repulsion energy	124.873536

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3111	2990	0.00
2	A₁	3069	2949	0.00
3	A₁	1576	1515	0.00
4	A₁	1190	1144	0.00
5	A₁	965	927	0.00
6	A₁	216	208	0.00
7	A₂	1296	1246	0.00
8	A₂	1007	968	0.00
9	B₁	1293	1243	0.00
10	B₁	1186	1140	0.00
11	B₁	890	856	0.00
12	B₂	3139	3017	67.92
13	B₂	3062	2943	10.64
14	B₂	1555	1494	4.61
15	B₂	927	891	0.02
16	B₂	639	614	2.74
17	E	3122	3000	16.16
17	E	3122	3000	16.16
18	E	3062	2943	47.41
18	E	3062	2943	47.41
19	E	1548	1487	1.31
19	E	1548	1487	1.31
20	E	1319	1268	2.26
20	E	1319	1268	2.26
21	E	1263	1214	1.38
21	E	1263	1214	1.38
22	E	871	837	3.26
22	E	871	837	3.26
23	E	758	729	0.16
23	E	758	729	0.16

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	1.106	0.136
C2	0.000	-1.106	0.136
C3	-1.106	0.000	-0.136
C4	1.106	0.000	-0.136
H5	0.000	1.402	1.194
H6	0.000	1.994	-0.505
H7	0.000	-1.402	1.194
H8	0.000	-1.994	-0.505
H9	-1.402	0.000	-1.194
H10	-1.994	0.000	0.505
H11	1.402	0.000	-1.194
H12	1.994	0.000	0.505

	C1	C2	C3	C4	H5	H6	H7	H8	H9	H10	H11	H12
C1		2.2130	1.5884	1.5884	1.0977	1.0952	2.7219	3.1662	2.2267	2.3101	2.2267	2.3101
C2	2.2130		1.5884	1.5884	2.7219	3.1662	1.0977	1.0952	2.2267	2.3101	2.2267	2.3101
C3	1.5884	1.5884		2.2130	2.2267	2.3101	2.2267	2.3101	1.0977	1.0952	2.7219	3.1662
C4	1.5884	1.5884	2.2130		2.2267	2.3101	2.2267	2.3101	2.7219	3.1662	1.0977	1.0952
H5	1.0977	2.7219	2.2267	2.2267		1.7992	2.8034	3.7970	3.1030	2.5327	3.1030	2.5327
H6	1.0952	3.1662	2.3101	2.3101	1.7992		3.7970	3.9880	2.5327	2.9956	2.5327	2.9956
H7	2.7219	1.0977	2.2267	2.2267	2.8034	3.7970		1.7992	3.1030	2.5327	3.1030	2.5327
H8	3.1662	1.0952	2.3101	2.3101	3.7970	3.9880	1.7992		2.5327	2.9956	2.5327	2.9956
H9	2.2267	2.2267	1.0977	2.7219	3.1030	2.5327	3.1030	2.5327		1.7992	2.8034	3.7970
H10	2.3101	2.3101	1.0952	3.1662	2.5327	2.9956	2.5327	2.9956	1.7992		3.7970	3.9880
H11	2.2267	2.2267	2.7219	1.0977	3.1030	2.5327	3.1030	2.5327	2.8034	3.7970		1.7992
H12	2.3101	2.3101	3.1662	1.0952	2.5327	2.9956	2.5327	2.9956	3.7970	3.9880	1.7992

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C2	88.310	C1	C3	H9	110.655
C1	C3	H10	117.640	C1	C4	C2	88.310
C1	C4	H11	110.655	C1	C4	H12	117.640
C2	C3	H9	110.655	C2	C3	H10	117.640
C2	C4	H11	110.655	C2	C4	H12	117.640
C3	C1	C4	88.310	C3	C1	H5	110.655
C3	C1	H6	117.640	C3	C2	C4	88.310
C3	C2	H7	110.655	C3	C2	H8	117.640
C4	C1	H5	110.655	C4	C1	H6	117.640
C4	C2	H7	110.655	C4	C2	H8	117.640
H5	C1	H6	110.265	H7	C2	H8	110.265
H9	C3	H10	110.265	H11	C4	H12	110.265

All results from a given calculation for C₄H₈ (cyclobutane)

using model chemistry: QCISD/3-21G*

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/3-21G*

States and conformations

All results from a given calculation for C₄H₈ (cyclobutane)