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	hartrees
Energy at 0K	-156.323848
Energy at 298.15K	-156.332985
HF Energy	-156.323848
Nuclear repulsion energy	126.075853

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3160	3017	0.00
2	A₁	3118	2977	0.00
3	A₁	1564	1493	0.00
4	A₁	1180	1127	0.00
5	A₁	1009	963	0.00
6	A₁	191	182	0.00
7	A₂	1297	1238	0.00
8	A₂	1019	973	0.00
9	B₁	1291	1233	0.00
10	B₁	1186	1132	0.00
11	B₁	942	900	0.00
12	B₂	3193	3048	59.49
13	B₂	3110	2969	7.38
14	B₂	1535	1465	5.77
15	B₂	906	865	0.37
16	B₂	647	618	5.25
17	E	3174	3030	11.79
17	E	3174	3030	11.79
18	E	3111	2970	53.92
18	E	3111	2970	53.92
19	E	1528	1458	4.52
19	E	1528	1458	4.52
20	E	1316	1256	4.69
20	E	1316	1256	4.69
21	E	1269	1212	3.50
21	E	1269	1212	3.50
22	E	909	868	4.33
22	E	909	868	4.33
23	E	762	728	0.47
23	E	762	728	0.47

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	1.095	0.124
C2	0.000	-1.095	0.124
C3	-1.095	0.000	-0.124
C4	1.095	0.000	-0.124
H5	0.000	1.417	1.169
H6	0.000	1.963	-0.536
H7	0.000	-1.417	1.169
H8	0.000	-1.963	-0.536
H9	-1.417	0.000	-1.169
H10	-1.963	0.000	0.536
H11	1.417	0.000	-1.169
H12	1.963	0.000	0.536

	C1	C2	C3	C4	H5	H6	H7	H8	H9	H10	H11	H12
C1		2.1896	1.5681	1.5681	1.0931	1.0908	2.7204	3.1282	2.2088	2.2850	2.2088	2.2850
C2	2.1896		1.5681	1.5681	2.7204	3.1282	1.0931	1.0908	2.2088	2.2850	2.2088	2.2850
C3	1.5681	1.5681		2.1896	2.2088	2.2850	2.2088	2.2850	1.0931	1.0908	2.7204	3.1282
C4	1.5681	1.5681	2.1896		2.2088	2.2850	2.2088	2.2850	2.7204	3.1282	1.0931	1.0908
H5	1.0931	2.7204	2.2088	2.2088		1.7903	2.8341	3.7856	3.0790	2.5022	3.0790	2.5022
H6	1.0908	3.1282	2.2850	2.2850	1.7903		3.7856	3.9258	2.5022	2.9759	2.5022	2.9759
H7	2.7204	1.0931	2.2088	2.2088	2.8341	3.7856		1.7903	3.0790	2.5022	3.0790	2.5022
H8	3.1282	1.0908	2.2850	2.2850	3.7856	3.9258	1.7903		2.5022	2.9759	2.5022	2.9759
H9	2.2088	2.2088	1.0931	2.7204	3.0790	2.5022	3.0790	2.5022		1.7903	2.8341	3.7856
H10	2.2850	2.2850	1.0908	3.1282	2.5022	2.9759	2.5022	2.9759	1.7903		3.7856	3.9258
H11	2.2088	2.2088	2.7204	1.0931	3.0790	2.5022	3.0790	2.5022	2.8341	3.7856		1.7903
H12	2.2850	2.2850	3.1282	1.0908	2.5022	2.9759	2.5022	2.9759	3.7856	3.9258	1.7903

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C2	88.560	C1	C3	H9	110.935
C1	C3	H10	117.361	C1	C4	C2	88.560
C1	C4	H11	110.935	C1	C4	H12	117.361
C2	C3	H9	110.935	C2	C3	H10	117.361
C2	C4	H11	110.935	C2	C4	H12	117.361
C3	C1	C4	88.560	C3	C1	H5	110.935
C3	C1	H6	117.361	C3	C2	C4	88.560
C3	C2	H7	110.935	C3	C2	H8	117.361
C4	C1	H5	110.935	C4	C1	H6	117.361
C4	C2	H7	110.935	C4	C2	H8	117.361
H5	C1	H6	110.124	H7	C2	H8	110.124
H9	C3	H10	110.124	H11	C4	H12	110.124

All results from a given calculation for C₄H₈ (cyclobutane)

using model chemistry: mPW1PW91/3-21G

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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Number	Element	Mulliken
1	C	-0.433
2	C	-0.433
3	C	-0.433
4	C	-0.433
5	H	0.222
6	H	0.210
7	H	0.222
8	H	0.210
9	H	0.222
10	H	0.210
11	H	0.222
12	H	0.210

<r²>	75.710
(<r²>)^1/2	8.701

All results from a given calculation for C4H8 (cyclobutane)

using model chemistry: mPW1PW91/3-21G

States and conformations

All results from a given calculation for C₄H₈ (cyclobutane)