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	hartrees
Energy at 0K	-194.721369
Energy at 298.15K
HF Energy	-193.936915
Nuclear repulsion energy	179.625286

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁'	3144	2978	0.00
2	A₁'	3087	2924	0.00
3	A₁'	1582	1499	0.00
4	A₁'	1155	1094	0.00
5	A₁'	922	873	0.00
6	A₁"	1011	957	0.00
7	A₂'	3158	2991	0.00
8	A₂'	982	930	0.00
9	A₂"	3140	2974	119.99
10	A₂"	1264	1197	50.29
11	A₂"	871	825	7.45
12	E'	3162	2995	62.17
12	E'	3162	2995	62.17
13	E'	3083	2920	71.29
13	E'	3083	2920	71.29
14	E'	1530	1449	0.96
14	E'	1530	1449	0.96
15	E'	1268	1201	4.02
15	E'	1268	1201	4.02
16	E'	1131	1071	0.06
16	E'	1131	1071	0.06
17	E'	927	878	0.70
17	E'	927	878	0.70
18	E'	559	529	0.29
18	E'	559	529	0.29
19	E"	1223	1158	0.00
19	E"	1223	1158	0.00
20	E"	1155	1094	0.00
20	E"	1155	1094	0.00
21	E"	1034	979	0.00
21	E"	1034	979	0.00
22	E"	820	776	0.00
22	E"	820	776	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.939
C2	0.000	1.235	0.000
C3	1.070	-0.618	0.000
C4	-1.070	-0.618	0.000
C5	0.000	0.000	-0.939
H6	0.000	0.000	2.032
H7	0.000	0.000	-2.032
H8	0.905	1.850	0.000
H9	-0.905	1.850	0.000
H10	1.149	-1.709	0.000
H11	2.054	-0.141	0.000
H12	-2.054	-0.141	0.000
H13	-1.149	-1.709	0.000

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13
C1		1.5516	1.5516	1.5516	1.8786	1.0931	2.9717	2.2634	2.2634	2.2634	2.2634	2.2634	2.2634
C2	1.5516		2.1391	2.1391	1.5516	2.3782	2.3782	1.0943	1.0943	3.1602	2.4725	2.4725	3.1602
C3	1.5516	2.1391		2.1391	1.5516	2.3782	2.3782	2.4725	3.1602	1.0943	1.0943	3.1602	2.4725
C4	1.5516	2.1391	2.1391		1.5516	2.3782	2.3782	3.1602	2.4725	2.4725	3.1602	1.0943	1.0943
C5	1.8786	1.5516	1.5516	1.5516		2.9717	1.0931	2.2634	2.2634	2.2634	2.2634	2.2634	2.2634
H6	1.0931	2.3782	2.3782	2.3782	2.9717		4.0649	2.8933	2.8933	2.8933	2.8933	2.8933	2.8933
H7	2.9717	2.3782	2.3782	2.3782	1.0931	4.0649		2.8933	2.8933	2.8933	2.8933	2.8933	2.8933
H8	2.2634	1.0943	2.4725	3.1602	2.2634	2.8933	2.8933		1.8109	3.5668	2.2981	3.5668	4.1090
H9	2.2634	1.0943	3.1602	2.4725	2.2634	2.8933	2.8933	1.8109		4.1090	3.5668	2.2981	3.5668
H10	2.2634	3.1602	1.0943	2.4725	2.2634	2.8933	2.8933	3.5668	4.1090		1.8109	3.5668	2.2981
H11	2.2634	2.4725	1.0943	3.1602	2.2634	2.8933	2.8933	2.2981	3.5668	1.8109		4.1090	3.5668
H12	2.2634	2.4725	3.1602	1.0943	2.2634	2.8933	2.8933	3.5668	2.2981	3.5668	4.1090		1.8109
H13	2.2634	3.1602	2.4725	1.0943	2.2634	2.8933	2.8933	4.1090	3.5668	2.2981	3.5668	1.8109

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C5	74.509	C1	C2	H8	116.551
C1	C2	H9	116.551	C1	C3	C5	74.509
C1	C3	H10	116.551	C1	C3	H11	116.551
C1	C4	C5	74.509	C1	C4	H12	116.551
C1	C4	H13	116.551	C2	C1	C3	87.152
C2	C1	C4	87.152	C2	C1	H6	127.254
C2	C5	C3	87.152	C2	C5	C4	87.152
C2	C5	H7	127.254	C3	C1	C4	87.152
C3	C1	H6	127.254	C3	C5	C4	87.152
C3	C5	H7	127.254	C4	C1	H6	127.254
C4	C5	H7	127.254	C5	C2	H8	116.551
C5	C2	H9	116.551	C5	C3	H10	116.551
C5	C3	H11	116.551	C5	C4	H12	116.551
C5	C4	H13	116.551	H8	C2	H9	111.669
H10	C3	H11	111.669	H12	C4	H13	111.669

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

using model chemistry: MP2=FULL/6-311G*

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: MP2=FULL/6-311G*

States and conformations

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