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	hartrees
Energy at 0K	-157.167917
Energy at 298.15K	-157.176911
HF Energy	-157.167917
Nuclear repulsion energy	126.060220

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2998	2987	0.00
2	A₁	2975	2965	0.00
3	A₁	1483	1478	0.00
4	A₁	1144	1140	0.00
5	A₁	971	968	0.00
6	A₁	182	181	0.00
7	A₂	1225	1221	0.00
8	A₂	938	935	0.00
9	B₁	1221	1217	0.00
10	B₁	1133	1129	0.00
11	B₁	900	897	0.00
12	B₂	3030	3020	111.21
13	B₂	2969	2959	8.60
14	B₂	1458	1453	2.62
15	B₂	857	854	0.00
16	B₂	625	623	2.17
17	E	3012	3002	18.96
17	E	3012	3002	18.96
18	E	2970	2960	91.82
18	E	2970	2960	91.82
19	E	1449	1444	0.69
19	E	1449	1444	0.69
20	E	1246	1241	0.91
20	E	1246	1241	0.91
21	E	1211	1207	0.61
21	E	1211	1207	0.61
22	E	875	872	1.66
22	E	875	872	1.66
23	E	733	730	0.13
23	E	733	730	0.13

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	1.092	0.120
C2	0.000	-1.092	0.120
C3	-1.092	0.000	-0.120
C4	1.092	0.000	-0.120
H5	0.000	1.445	1.158
H6	0.000	1.965	-0.543
H7	0.000	-1.445	1.158
H8	0.000	-1.965	-0.543
H9	-1.445	0.000	-1.158
H10	-1.965	0.000	0.543
H11	1.445	0.000	-1.158
H12	1.965	0.000	0.543

	C1	C2	C3	C4	H5	H6	H7	H8	H9	H10	H11	H12
C1		2.1849	1.5635	1.5635	1.0965	1.0957	2.7419	3.1282	2.2173	2.2874	2.2173	2.2874
C2	2.1849		1.5635	1.5635	2.7419	3.1282	1.0965	1.0957	2.2173	2.2874	2.2173	2.2874
C3	1.5635	1.5635		2.1849	2.2173	2.2874	2.2173	2.2874	1.0965	1.0957	2.7419	3.1282
C4	1.5635	1.5635	2.1849		2.2173	2.2874	2.2173	2.2874	2.7419	3.1282	1.0965	1.0957
H5	1.0965	2.7419	2.2173	2.2173		1.7790	2.8906	3.8108	3.0893	2.5153	3.0893	2.5153
H6	1.0957	3.1282	2.2874	2.2874	1.7790		3.8108	3.9292	2.5153	2.9832	2.5153	2.9832
H7	2.7419	1.0965	2.2173	2.2173	2.8906	3.8108		1.7790	3.0893	2.5153	3.0893	2.5153
H8	3.1282	1.0957	2.2874	2.2874	3.8108	3.9292	1.7790		2.5153	2.9832	2.5153	2.9832
H9	2.2173	2.2173	1.0965	2.7419	3.0893	2.5153	3.0893	2.5153		1.7790	2.8906	3.8108
H10	2.2874	2.2874	1.0957	3.1282	2.5153	2.9832	2.5153	2.9832	1.7790		3.8108	3.9292
H11	2.2173	2.2173	2.7419	1.0965	3.0893	2.5153	3.0893	2.5153	2.8906	3.8108		1.7790
H12	2.2874	2.2874	3.1282	1.0957	2.5153	2.9832	2.5153	2.9832	3.8108	3.9292	1.7790

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C2	88.649	C1	C3	H9	111.729
C1	C3	H10	117.595	C1	C4	C2	88.649
C1	C4	H11	111.729	C1	C4	H12	117.595
C2	C3	H9	111.729	C2	C3	H10	117.595
C2	C4	H11	111.729	C2	C4	H12	117.595
C3	C1	C4	88.649	C3	C1	H5	111.729
C3	C1	H6	117.595	C3	C2	C4	88.649
C3	C2	H7	111.729	C3	C2	H8	117.595
C4	C1	H5	111.729	C4	C1	H6	117.595
C4	C2	H7	111.729	C4	C2	H8	117.595
H5	C1	H6	108.482	H7	C2	H8	108.482
H9	C3	H10	108.482	H11	C4	H12	108.482

All results from a given calculation for (cyclobutane)

using model chemistry: BLYP/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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Number	Element	Mulliken
1	C	-0.362
2	C	-0.362
3	C	-0.362
4	C	-0.362
5	H	0.116
6	H	0.245
7	H	0.116
8	H	0.245
9	H	0.116
10	H	0.245
11	H	0.116
12	H	0.245

<r²>	76.476
(<r²>)^1/2	8.745