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	hartrees
Energy at 0K	-156.889793
Energy at 298.15K	-156.898985
HF Energy	-156.151007
Nuclear repulsion energy	127.298562

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3130	2995	0.00
2	A₁	3087	2955	0.00
3	A₁	1548	1481	0.00
4	A₁	1195	1144	0.00
5	A₁	1039	994	0.00
6	A₁	217	207	0.00
7	A₂	1277	1222	0.00
8	A₂	975	933	0.00
9	B₁	1277	1223	0.00
10	B₁	1186	1135	0.00
11	B₁	959	918	0.00
12	B₂	3156	3020	82.02
13	B₂	3082	2950	14.31
14	B₂	1513	1448	3.88
15	B₂	912	873	0.03
16	B₂	628	601	1.81
17	E	3141	3006	23.17
17	E	3141	3006	23.17
18	E	3083	2951	62.17
18	E	3083	2951	62.17
19	E	1507	1442	0.87
19	E	1507	1442	0.87
20	E	1310	1253	1.50
20	E	1310	1253	1.50
21	E	1268	1214	0.14
21	E	1268	1214	0.14
22	E	931	891	2.36
22	E	931	891	2.36
23	E	764	731	0.18
23	E	764	731	0.18

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	1.078	0.139
C2	0.000	-1.078	0.139
C3	-1.078	0.000	-0.139
C4	1.078	0.000	-0.139
H5	0.000	1.370	1.190
H6	0.000	1.974	-0.478
H7	0.000	-1.370	1.190
H8	0.000	-1.974	-0.478
H9	-1.370	0.000	-1.190
H10	-1.974	0.000	0.478
H11	1.370	0.000	-1.190
H12	1.974	0.000	0.478

	C1	C2	C3	C4	H5	H6	H7	H8	H9	H10	H11	H12
C1		2.1552	1.5491	1.5491	1.0904	1.0886	2.6632	3.1137	2.1915	2.2747	2.1915	2.2747
C2	2.1552		1.5491	1.5491	2.6632	3.1137	1.0904	1.0886	2.1915	2.2747	2.1915	2.2747
C3	1.5491	1.5491		2.1552	2.1915	2.2747	2.1915	2.2747	1.0904	1.0886	2.6632	3.1137
C4	1.5491	1.5491	2.1552		2.1915	2.2747	2.1915	2.2747	2.6632	3.1137	1.0904	1.0886
H5	1.0904	2.6632	2.1915	2.1915		1.7738	2.7392	3.7367	3.0680	2.5061	3.0680	2.5061
H6	1.0886	3.1137	2.2747	2.2747	1.7738		3.7367	3.9488	2.5061	2.9513	2.5061	2.9513
H7	2.6632	1.0904	2.1915	2.1915	2.7392	3.7367		1.7738	3.0680	2.5061	3.0680	2.5061
H8	3.1137	1.0886	2.2747	2.2747	3.7367	3.9488	1.7738		2.5061	2.9513	2.5061	2.9513
H9	2.1915	2.1915	1.0904	2.6632	3.0680	2.5061	3.0680	2.5061		1.7738	2.7392	3.7367
H10	2.2747	2.2747	1.0886	3.1137	2.5061	2.9513	2.5061	2.9513	1.7738		3.7367	3.9488
H11	2.1915	2.1915	2.6632	1.0904	3.0680	2.5061	3.0680	2.5061	2.7392	3.7367		1.7738
H12	2.2747	2.2747	3.1137	1.0886	2.5061	2.9513	2.5061	2.9513	3.7367	3.9488	1.7738

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C2	88.151	C1	C3	H9	111.061
C1	C3	H10	118.116	C1	C4	C2	88.151
C1	C4	H11	111.061	C1	C4	H12	118.116
C2	C3	H9	111.061	C2	C3	H10	118.116
C2	C4	H11	111.061	C2	C4	H12	118.116
C3	C1	C4	88.151	C3	C1	H5	111.061
C3	C1	H6	118.116	C3	C2	C4	88.151
C3	C2	H7	111.061	C3	C2	H8	118.116
C4	C1	H5	111.061	C4	C1	H6	118.116
C4	C2	H7	111.061	C4	C2	H8	118.116
H5	C1	H6	108.993	H7	C2	H8	108.993
H9	C3	H10	108.993	H11	C4	H12	108.993

All results from a given calculation for C₄H₈ (cyclobutane)

using model chemistry: CCD/aug-cc-pVTZ

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: CCD/aug-cc-pVTZ

States and conformations

All results from a given calculation for C₄H₈ (cyclobutane)