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	hartrees
Energy at 0K	-194.266726
Energy at 298.15K
HF Energy	-193.810903
Nuclear repulsion energy	176.509751

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁'	3163	3026	0.00
2	A₁'	3087	2954	0.00
3	A₁'	1600	1531	0.00
4	A₁'	1133	1084	0.00
5	A₁'	938	897	0.00
6	A₁"	1018	974	0.00
7	A₂'	3157	3021	0.00
8	A₂'	985	943	0.00
9	A₂"	3149	3013	104.41
10	A₂"	1276	1221	30.64
11	A₂"	816	781	4.23
12	E'	3165	3028	59.52
12	E'	3165	3028	59.52
13	E'	3083	2950	61.58
13	E'	3083	2950	61.58
14	E'	1556	1489	0.31
14	E'	1556	1489	0.31
15	E'	1256	1202	1.42
15	E'	1256	1202	1.42
16	E'	1134	1085	0.25
16	E'	1134	1085	0.25
17	E'	883	845	1.18
17	E'	883	845	1.18
18	E'	551	527	0.11
18	E'	551	527	0.11
19	E"	1269	1214	0.00
19	E"	1269	1214	0.00
20	E"	1166	1116	0.00
20	E"	1166	1116	0.00
21	E"	1066	1020	0.00
21	E"	1066	1020	0.00
22	E"	762	729	0.00
22	E"	762	729	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.961
C2	0.000	1.262	0.000
C3	1.093	-0.631	0.000
C4	-1.093	-0.631	0.000
C5	0.000	0.000	-0.961
H6	0.000	0.000	2.055
H7	0.000	0.000	-2.055
H8	0.910	1.876	0.000
H9	-0.910	1.876	0.000
H10	1.170	-1.726	0.000
H11	2.079	-0.150	0.000
H12	-2.079	-0.150	0.000
H13	-1.170	-1.726	0.000

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13
C1		1.5863	1.5863	1.5863	1.9226	1.0941	3.0167	2.2956	2.2956	2.2956	2.2956	2.2956	2.2956
C2	1.5863		2.1855	2.1855	1.5863	2.4118	2.4118	1.0974	1.0974	3.2082	2.5133	2.5133	3.2082
C3	1.5863	2.1855		2.1855	1.5863	2.4118	2.4118	2.5133	3.2082	1.0974	1.0974	3.2082	2.5133
C4	1.5863	2.1855	2.1855		1.5863	2.4118	2.4118	3.2082	2.5133	2.5133	3.2082	1.0974	1.0974
C5	1.9226	1.5863	1.5863	1.5863		3.0167	1.0941	2.2956	2.2956	2.2956	2.2956	2.2956	2.2956
H6	1.0941	2.4118	2.4118	2.4118	3.0167		4.1108	2.9275	2.9275	2.9275	2.9275	2.9275	2.9275
H7	3.0167	2.4118	2.4118	2.4118	1.0941	4.1108		2.9275	2.9275	2.9275	2.9275	2.9275	2.9275
H8	2.2956	1.0974	2.5133	3.2082	2.2956	2.9275	2.9275		1.8192	3.6107	2.3393	3.6107	4.1585
H9	2.2956	1.0974	3.2082	2.5133	2.2956	2.9275	2.9275	1.8192		4.1585	3.6107	2.3393	3.6107
H10	2.2956	3.2082	1.0974	2.5133	2.2956	2.9275	2.9275	3.6107	4.1585		1.8192	3.6107	2.3393
H11	2.2956	2.5133	1.0974	3.2082	2.2956	2.9275	2.9275	2.3393	3.6107	1.8192		4.1585	3.6107
H12	2.2956	2.5133	3.2082	1.0974	2.2956	2.9275	2.9275	3.6107	2.3393	3.6107	4.1585		1.8192
H13	2.2956	3.2082	2.5133	1.0974	2.2956	2.9275	2.9275	4.1585	3.6107	2.3393	3.6107	1.8192

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C5	74.606	C1	C2	H8	116.425
C1	C2	H9	116.425	C1	C3	C5	74.606
C1	C3	H10	116.425	C1	C3	H11	116.425
C1	C4	C5	74.606	C1	C4	H12	116.425
C1	C4	H13	116.425	C2	C1	C3	87.082
C2	C1	C4	87.082	C2	C1	H6	127.303
C2	C5	C3	87.082	C2	C5	C4	87.082
C2	C5	H7	127.303	C3	C1	C4	87.082
C3	C1	H6	127.303	C3	C5	C4	87.082
C3	C5	H7	127.303	C4	C1	H6	127.303
C4	C5	H7	127.303	C5	C2	H8	116.425
C5	C2	H9	116.425	C5	C3	H10	116.425
C5	C3	H11	116.425	C5	C4	H12	116.425
C5	C4	H13	116.425	H8	C2	H9	111.961
H10	C3	H11	111.961	H12	C4	H13	111.961

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

using model chemistry: MP2/6-31G

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

using model chemistry: MP2/6-31G

States and conformations

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