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	hartrees
Energy at 0K	-157.106267
Energy at 298.15K	-157.115312
HF Energy	-157.106267
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3045	2985	0.00
2	A₁	3015	2956	0.00
3	A₁	1520	1490	0.00
4	A₁	1166	1143	0.00
5	A₁	1001	982	0.00
6	A₁	198	194	0.00
7	A₂	1234	1210	0.00
8	A₂	954	935	0.00
9	B₁	1250	1225	0.00
10	B₁	1150	1127	0.00
11	B₁	934	916	0.00
12	B₂	3078	3018	130.67
13	B₂	3006	2947	9.54
14	B₂	1491	1461	2.95
15	B₂	879	861	0.00
16	B₂	629	616	3.08
17	E	3060	3000	20.46
17	E	3060	3000	20.46
18	E	3007	2948	101.27
18	E	3007	2948	101.27
19	E	1481	1452	0.01
19	E	1481	1452	0.01
20	E	1276	1251	0.30
20	E	1276	1251	0.30
21	E	1236	1212	0.38
21	E	1236	1212	0.38
22	E	906	888	2.08
22	E	906	888	2.08
23	E	747	732	0.49
23	E	747	732	0.49

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	1.085	0.129
C2	0.000	-1.085	0.129
C3	-1.085	0.000	-0.129
C4	1.085	0.000	-0.129
H5	0.000	1.412	1.179
H6	0.000	1.976	-0.515
H7	0.000	-1.412	1.179
H8	0.000	-1.976	-0.515
H9	-1.412	0.000	-1.179
H10	-1.976	0.000	0.515
H11	1.412	0.000	-1.179
H12	1.976	0.000	0.515

	C1	C2	C3	C4	H5	H6	H7	H8	H9	H10	H11	H12
C1		2.1707	1.5563	1.5563	1.0997	1.0992	2.7089	3.1286	2.2091	2.2876	2.2091	2.2876
C2	2.1707		1.5563	1.5563	2.7089	3.1286	1.0997	1.0992	2.2091	2.2876	2.2091	2.2876
C3	1.5563	1.5563		2.1707	2.2091	2.2876	2.2091	2.2876	1.0997	1.0992	2.7089	3.1286
C4	1.5563	1.5563	2.1707		2.2091	2.2876	2.2091	2.2876	2.7089	3.1286	1.0997	1.0992
H5	1.0997	2.7089	2.2091	2.2091		1.7856	2.8233	3.7878	3.0893	2.5177	3.0893	2.5177
H6	1.0992	3.1286	2.2876	2.2876	1.7856		3.7878	3.9526	2.5177	2.9788	2.5177	2.9788
H7	2.7089	1.0997	2.2091	2.2091	2.8233	3.7878		1.7856	3.0893	2.5177	3.0893	2.5177
H8	3.1286	1.0992	2.2876	2.2876	3.7878	3.9526	1.7856		2.5177	2.9788	2.5177	2.9788
H9	2.2091	2.2091	1.0997	2.7089	3.0893	2.5177	3.0893	2.5177		1.7856	2.8233	3.7878
H10	2.2876	2.2876	1.0992	3.1286	2.5177	2.9788	2.5177	2.9788	1.7856		3.7878	3.9526
H11	2.2091	2.2091	2.7089	1.0997	3.0893	2.5177	3.0893	2.5177	2.8233	3.7878		1.7856
H12	2.2876	2.2876	3.1286	1.0992	2.5177	2.9788	2.5177	2.9788	3.7878	3.9526	1.7856

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C2	89.998	C1	C3	H9	114.608
C1	C3	H10	114.703	C1	C4	C2	89.998
C1	C4	H11	114.608	C1	C4	H12	114.703
C2	C3	H9	114.608	C2	C3	H10	114.703
C2	C4	H11	114.608	C2	C4	H12	114.703
C3	C1	C4	89.998	C3	C1	H5	114.608
C3	C1	H6	114.703	C3	C2	C4	89.998
C3	C2	H7	114.608	C3	C2	H8	114.703
C4	C1	H5	114.608	C4	C1	H6	114.703
C4	C2	H7	114.608	C4	C2	H8	114.703
H5	C1	H6	107.695	H7	C2	H8	107.695
H9	C3	H10	107.695	H11	C4	H12	107.695

All results from a given calculation for C₄H₈ (cyclobutane)

using model chemistry: B97D3/6-31G*

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	-0.280
2	C	-0.280
3	C	-0.280
4	C	-0.280
5	H	0.141
6	H	0.139
7	H	0.141
8	H	0.139
9	H	0.141
10	H	0.139
11	H	0.141
12	H	0.139

<r²>	75.355
(<r²>)^1/2	8.681

All results from a given calculation for C4H8 (cyclobutane)

using model chemistry: B97D3/6-31G*

States and conformations

All results from a given calculation for C₄H₈ (cyclobutane)