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	hartrees
Energy at 0K	-191.884861
Energy at 298.15K
HF Energy	-191.610427
Nuclear repulsion energy	176.933802

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁'	3484	3038	0.00
2	A₁'	3403	2967	0.00
3	A₁'	1739	1516	0.00
4	A₁'	1256	1095	0.00
5	A₁'	1010	881	0.00
6	A₁"	1133	987	0.00
7	A₂'	3542	3088	0.00
8	A₂'	1048	914	0.00
9	A₂"	3474	3029	6.33
10	A₂"	1447	1262	5.93
11	A₂"	976	851	0.04
12	E'	3545	3091	9.59
12	E'	3545	3091	9.59
13	E'	3406	2970	5.91
13	E'	3406	2970	5.91
14	E'	1707	1488	3.62
14	E'	1707	1488	3.62
15	E'	1425	1243	0.94
15	E'	1425	1243	0.94
16	E'	1213	1057	0.80
16	E'	1213	1057	0.80
17	E'	1017	887	0.78
17	E'	1017	887	0.78
18	E'	577	503	0.27
18	E'	577	503	0.27
19	E"	1344	1172	0.00
19	E"	1344	1172	0.00
20	E"	1324	1155	0.00
20	E"	1324	1155	0.00
21	E"	1140	994	0.00
21	E"	1140	994	0.00
22	E"	928	809	0.00
22	E"	928	809	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.961
C2	0.000	1.251	0.000
C3	1.084	-0.626	0.000
C4	-1.084	-0.626	0.000
C5	0.000	0.000	-0.961
H6	0.000	0.000	2.067
H7	0.000	0.000	-2.067
H8	0.913	1.874	0.000
H9	-0.913	1.874	0.000
H10	1.166	-1.728	0.000
H11	2.079	-0.146	0.000
H12	-2.079	-0.146	0.000
H13	-1.166	-1.728	0.000

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13
C1		1.5779	1.5779	1.5779	1.9221	1.1062	3.0283	2.2954	2.2954	2.2954	2.2954	2.2954	2.2954
C2	1.5779		2.1676	2.1676	1.5779	2.4166	2.4166	1.1052	1.1052	3.1994	2.5054	2.5054	3.1994
C3	1.5779	2.1676		2.1676	1.5779	2.4166	2.4166	2.5054	3.1994	1.1052	1.1052	3.1994	2.5054
C4	1.5779	2.1676	2.1676		1.5779	2.4166	2.4166	3.1994	2.5054	2.5054	3.1994	1.1052	1.1052
C5	1.9221	1.5779	1.5779	1.5779		3.0283	1.1062	2.2954	2.2954	2.2954	2.2954	2.2954	2.2954
H6	1.1062	2.4166	2.4166	2.4166	3.0283		4.1346	2.9358	2.9358	2.9358	2.9358	2.9358	2.9358
H7	3.0283	2.4166	2.4166	2.4166	1.1062	4.1346		2.9358	2.9358	2.9358	2.9358	2.9358	2.9358
H8	2.2954	1.1052	2.5054	3.1994	2.2954	2.9358	2.9358		1.8264	3.6106	2.3325	3.6106	4.1589
H9	2.2954	1.1052	3.1994	2.5054	2.2954	2.9358	2.9358	1.8264		4.1589	3.6106	2.3325	3.6106
H10	2.2954	3.1994	1.1052	2.5054	2.2954	2.9358	2.9358	3.6106	4.1589		1.8264	3.6106	2.3325
H11	2.2954	2.5054	1.1052	3.1994	2.2954	2.9358	2.9358	2.3325	3.6106	1.8264		4.1589	3.6106
H12	2.2954	2.5054	3.1994	1.1052	2.2954	2.9358	2.9358	3.6106	2.3325	3.6106	4.1589		1.8264
H13	2.2954	3.1994	2.5054	1.1052	2.2954	2.9358	2.9358	4.1589	3.6106	2.3325	3.6106	1.8264

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C5	75.044	C1	C2	H8	116.532
C1	C2	H9	116.532	C1	C3	C5	75.044
C1	C3	H10	116.532	C1	C3	H11	116.532
C1	C4	C5	75.044	C1	C4	H12	116.532
C1	C4	H13	116.532	C2	C1	C3	86.764
C2	C1	C4	86.764	C2	C1	H6	127.522
C2	C5	C3	86.764	C2	C5	C4	86.764
C2	C5	H7	127.522	C3	C1	C4	86.764
C3	C1	H6	127.522	C3	C5	C4	86.764
C3	C5	H7	127.522	C4	C1	H6	127.522
C4	C5	H7	127.522	C5	C2	H8	116.532
C5	C2	H9	116.532	C5	C3	H10	116.532
C5	C3	H11	116.532	C5	C4	H12	116.532
C5	C4	H13	116.532	H8	C2	H9	111.442
H10	C3	H11	111.443	H12	C4	H13	111.443

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

using model chemistry: MP2/STO-3G

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/STO-3G

States and conformations

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