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	hartrees
Energy at 0K
Energy at 298.15K	0.093981
HF Energy	0.093981
Nuclear repulsion energy	110.948543

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁'	2784	2958	0.00
2	A₁'	2780	2954	0.00
3	A₁'	1370	1455	0.00
4	A₁'	1306	1388	0.00
5	A₁'	809	860	0.00
6	A₁"	872	927	0.00
7	A₂'	2704	2873	0.00
8	A₂'	945	1004	0.00
9	A₂"	2777	2950	82.10
10	A₂"	1183	1256	83.30
11	A₂"	945	1004	6.97
12	E'	2778	2952	74.22
12	E'	2778	2952	74.22
13	E'	2714	2883	58.89
13	E'	2714	2883	58.89
14	E'	1345	1428	30.32
14	E'	1345	1428	30.32
15	E'	1179	1252	13.88
15	E'	1179	1252	13.88
16	E'	997	1059	3.49
16	E'	997	1059	3.49
17	E'	980	1041	9.94
17	E'	980	1041	9.94
18	E'	522	555	2.14
18	E'	522	555	2.14
19	E"	1177	1251	0.00
19	E"	1177	1251	0.00
20	E"	1039	1104	0.00
20	E"	1039	1104	0.00
21	E"	963	1024	0.00
21	E"	963	1024	0.00
22	E"	748	795	0.00
22	E"	748	795	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.942
C2	0.000	1.260	0.000
C3	1.091	-0.630	0.000
C4	-1.091	-0.630	0.000
C5	0.000	0.000	-0.942
H6	0.000	0.000	2.009
H7	0.000	0.000	-2.009
H8	0.885	1.892	0.000
H9	-0.885	1.892	0.000
H10	1.196	-1.713	0.000
H11	2.081	-0.179	0.000
H12	-2.081	-0.179	0.000
H13	-1.196	-1.713	0.000

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13
C1		1.5728	1.5728	1.5728	1.8837	1.0672	2.9508	2.2913	2.2913	2.2913	2.2913	2.2913	2.2913
C2	1.5728		2.1817	2.1817	1.5728	2.3712	2.3712	1.0878	1.0878	3.2037	2.5301	2.5301	3.2037
C3	1.5728	2.1817		2.1817	1.5728	2.3712	2.3712	2.5301	3.2037	1.0878	1.0878	3.2037	2.5301
C4	1.5728	2.1817	2.1817		1.5728	2.3712	2.3712	3.2037	2.5301	2.5301	3.2037	1.0878	1.0878
C5	1.8837	1.5728	1.5728	1.5728		2.9508	1.0672	2.2913	2.2913	2.2913	2.2913	2.2913	2.2913
H6	1.0672	2.3712	2.3712	2.3712	2.9508		4.0180	2.8981	2.8981	2.8981	2.8981	2.8981	2.8981
H7	2.9508	2.3712	2.3712	2.3712	1.0672	4.0180		2.8981	2.8981	2.8981	2.8981	2.8981	2.8981
H8	2.2913	1.0878	2.5301	3.2037	2.2913	2.8981	2.8981		1.7703	3.6178	2.3918	3.6178	4.1621
H9	2.2913	1.0878	3.2037	2.5301	2.2913	2.8981	2.8981	1.7703		4.1621	3.6178	2.3918	3.6178
H10	2.2913	3.2037	1.0878	2.5301	2.2913	2.8981	2.8981	3.6178	4.1621		1.7703	3.6178	2.3918
H11	2.2913	2.5301	1.0878	3.2037	2.2913	2.8981	2.8981	2.3918	3.6178	1.7703		4.1621	3.6178
H12	2.2913	2.5301	3.2037	1.0878	2.2913	2.8981	2.8981	3.6178	2.3918	3.6178	4.1621		1.7703
H13	2.2913	3.2037	2.5301	1.0878	2.2913	2.8981	2.8981	4.1621	3.6178	2.3918	3.6178	1.7703

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C5	73.574	C1	C2	H8	117.745
C1	C2	H9	117.745	C1	C3	C5	73.574
C1	C3	H10	117.745	C1	C3	H11	117.745
C1	C4	C5	73.574	C1	C4	H12	117.745
C1	C4	H13	117.745	C2	C1	C3	87.827
C2	C1	C4	87.827	C2	C1	H6	126.787
C2	C5	C3	87.827	C2	C5	C4	87.827
C2	C5	H7	126.787	C3	C1	C4	87.827
C3	C1	H6	126.787	C3	C5	C4	87.827
C3	C5	H7	126.787	C4	C1	H6	126.787
C4	C5	H7	126.787	C5	C2	H8	117.745
C5	C2	H9	117.745	C5	C3	H10	117.745
C5	C3	H11	117.745	C5	C4	H12	117.745
C5	C4	H13	117.745	H8	C2	H9	108.916
H10	C3	H11	108.916	H12	C4	H13	108.916

All results from a given calculation for C₅H₈ (Bicyclo[1.1.1]pentane)

using model chemistry: PM6

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 C5H8 (Bicyclo[1.1.1]pentane)

using model chemistry: PM6

States and conformations

All results from a given calculation for C₅H₈ (Bicyclo[1.1.1]pentane)