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	hartrees
Energy at 0K	-157.216198
Energy at 298.15K	-157.225304
HF Energy	-157.216198
Nuclear repulsion energy	127.258916

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3118	2978	0.00
2	A₁	3084	2946	0.00
3	A₁	1526	1457	0.00
4	A₁	1179	1126	0.00
5	A₁	1033	987	0.00
6	A₁	171	163	0.00
7	A₂	1272	1214	0.00
8	A₂	983	938	0.00
9	B₁	1265	1208	0.00
10	B₁	1191	1138	0.00
11	B₁	966	923	0.00
12	B₂	3150	3008	96.09
13	B₂	3076	2937	10.79
14	B₂	1486	1419	3.74
15	B₂	888	848	0.01
16	B₂	635	606	2.80
17	E	3132	2991	18.17
17	E	3132	2991	18.17
18	E	3078	2939	78.99
18	E	3078	2939	78.99
19	E	1483	1417	1.78
19	E	1483	1417	1.78
20	E	1302	1244	4.33
20	E	1302	1244	4.33
21	E	1261	1204	0.05
21	E	1261	1204	0.05
22	E	934	892	3.51
22	E	934	892	3.51
23	E	758	724	0.23
23	E	758	724	0.23

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	1.080	0.122
C2	0.000	-1.080	0.122
C3	-1.080	0.000	-0.122
C4	1.080	0.000	-0.122
H5	0.000	1.418	1.160
H6	0.000	1.953	-0.530
H7	0.000	-1.418	1.160
H8	0.000	-1.953	-0.530
H9	-1.418	0.000	-1.160
H10	-1.953	0.000	0.530
H11	1.418	0.000	-1.160
H12	1.953	0.000	0.530

	C1	C2	C3	C4	H5	H6	H7	H8	H9	H10	H11	H12
C1		2.1594	1.5464	1.5464	1.0913	1.0902	2.7048	3.1023	2.1957	2.2687	2.1957	2.2687
C2	2.1594		1.5464	1.5464	2.7048	3.1023	1.0913	1.0902	2.1957	2.2687	2.1957	2.2687
C3	1.5464	1.5464		2.1594	2.1957	2.2687	2.1957	2.2687	1.0913	1.0902	2.7048	3.1023
C4	1.5464	1.5464	2.1594		2.1957	2.2687	2.1957	2.2687	2.7048	3.1023	1.0913	1.0902
H5	1.0913	2.7048	2.1957	2.1957		1.7724	2.8365	3.7712	3.0665	2.4946	3.0665	2.4946
H6	1.0902	3.1023	2.2687	2.2687	1.7724		3.7712	3.9064	2.4946	2.9587	2.4946	2.9587
H7	2.7048	1.0913	2.1957	2.1957	2.8365	3.7712		1.7724	3.0665	2.4946	3.0665	2.4946
H8	3.1023	1.0902	2.2687	2.2687	3.7712	3.9064	1.7724		2.4946	2.9587	2.4946	2.9587
H9	2.1957	2.1957	1.0913	2.7048	3.0665	2.4946	3.0665	2.4946		1.7724	2.8365	3.7712
H10	2.2687	2.2687	1.0902	3.1023	2.4946	2.9587	2.4946	2.9587	1.7724		3.7712	3.9064
H11	2.1957	2.1957	2.7048	1.0913	3.0665	2.4946	3.0665	2.4946	2.8365	3.7712		1.7724
H12	2.2687	2.2687	3.1023	1.0902	2.4946	2.9587	2.4946	2.9587	3.7712	3.9064	1.7724

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C2	88.566	C1	C3	H9	111.528
C1	C3	H10	117.697	C1	C4	C2	88.566
C1	C4	H11	111.528	C1	C4	H12	117.697
C2	C3	H9	111.528	C2	C3	H10	117.697
C2	C4	H11	111.528	C2	C4	H12	117.697
C3	C1	C4	88.566	C3	C1	H5	111.528
C3	C1	H6	117.697	C3	C2	C4	88.566
C3	C2	H7	111.528	C3	C2	H8	117.697
C4	C1	H5	111.528	C4	C1	H6	117.697
C4	C2	H7	111.528	C4	C2	H8	117.697
H5	C1	H6	108.679	H7	C2	H8	108.679
H9	C3	H10	108.679	H11	C4	H12	108.679

All results from a given calculation for C₄H₈ (cyclobutane)

using model chemistry: wB97X-D/TZVP

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	-0.253
2	C	-0.253
3	C	-0.253
4	C	-0.253
5	H	0.121
6	H	0.132
7	H	0.121
8	H	0.132
9	H	0.121
10	H	0.132
11	H	0.121
12	H	0.132

<r²>	74.813
(<r²>)^1/2	8.649

All results from a given calculation for C4H8 (cyclobutane)

using model chemistry: wB97X-D/TZVP

States and conformations

All results from a given calculation for C₄H₈ (cyclobutane)