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	hartrees
Energy at 0K	-194.630397
Energy at 298.15K
HF Energy	-193.920621
Nuclear repulsion energy	179.891171

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁'	3187	2997	0.00
2	A₁'	3127	2941	0.00
3	A₁'	1594	1500	0.00
4	A₁'	1155	1086	0.00
5	A₁'	921	866	0.00
6	A₁"	1011	951	0.00
7	A₂'	3199	3009	0.00
8	A₂'	991	932	0.00
9	A₂"	3182	2993	122.22
10	A₂"	1279	1203	44.17
11	A₂"	870	818	6.00
12	E'	3203	3013	63.05
12	E'	3203	3013	63.05
13	E'	3123	2938	76.73
13	E'	3123	2938	76.73
14	E'	1543	1452	0.10
14	E'	1543	1452	0.10
15	E'	1283	1206	2.51
15	E'	1283	1206	2.51
16	E'	1139	1071	0.52
16	E'	1139	1071	0.52
17	E'	930	875	0.61
17	E'	930	875	0.61
18	E'	556	523	0.13
18	E'	556	523	0.13
19	E"	1239	1165	0.00
19	E"	1239	1165	0.00
20	E"	1162	1093	0.00
20	E"	1162	1093	0.00
21	E"	1040	978	0.00
21	E"	1040	978	0.00
22	E"	821	772	0.00
22	E"	821	772	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.937
C2	0.000	1.234	0.000
C3	1.069	-0.617	0.000
C4	-1.069	-0.617	0.000
C5	0.000	0.000	-0.937
H6	0.000	0.000	2.027
H7	0.000	0.000	-2.027
H8	0.903	1.847	0.000
H9	-0.903	1.847	0.000
H10	1.147	-1.706	0.000
H11	2.051	-0.141	0.000
H12	-2.051	-0.141	0.000
H13	-1.147	-1.706	0.000

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13
C1		1.5499	1.5499	1.5499	1.8745	1.0893	2.9638	2.2593	2.2593	2.2593	2.2593	2.2593	2.2593
C2	1.5499		2.1381	2.1381	1.5499	2.3729	2.3729	1.0913	1.0913	3.1561	2.4694	2.4694	3.1561
C3	1.5499	2.1381		2.1381	1.5499	2.3729	2.3729	2.4694	3.1561	1.0913	1.0913	3.1561	2.4694
C4	1.5499	2.1381	2.1381		1.5499	2.3729	2.3729	3.1561	2.4694	2.4694	3.1561	1.0913	1.0913
C5	1.8745	1.5499	1.5499	1.5499		2.9638	1.0893	2.2593	2.2593	2.2593	2.2593	2.2593	2.2593
H6	1.0893	2.3729	2.3729	2.3729	2.9638		4.0530	2.8867	2.8867	2.8867	2.8867	2.8867	2.8867
H7	2.9638	2.3729	2.3729	2.3729	1.0893	4.0530		2.8867	2.8867	2.8867	2.8867	2.8867	2.8867
H8	2.2593	1.0913	2.4694	3.1561	2.2593	2.8867	2.8867		1.8069	3.5607	2.2950	3.5607	4.1019
H9	2.2593	1.0913	3.1561	2.4694	2.2593	2.8867	2.8867	1.8069		4.1019	3.5607	2.2950	3.5607
H10	2.2593	3.1561	1.0913	2.4694	2.2593	2.8867	2.8867	3.5607	4.1019		1.8069	3.5607	2.2950
H11	2.2593	2.4694	1.0913	3.1561	2.2593	2.8867	2.8867	2.2950	3.5607	1.8069		4.1019	3.5607
H12	2.2593	2.4694	3.1561	1.0913	2.2593	2.8867	2.8867	3.5607	2.2950	3.5607	4.1019		1.8069
H13	2.2593	3.1561	2.4694	1.0913	2.2593	2.8867	2.8867	4.1019	3.5607	2.2950	3.5607	1.8069

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C5	74.416	C1	C2	H8	116.537
C1	C2	H9	116.537	C1	C3	C5	74.416
C1	C3	H10	116.537	C1	C3	H11	116.537
C1	C4	C5	74.416	C1	C4	H12	116.537
C1	C4	H13	116.537	C2	C1	C3	87.219
C2	C1	C4	87.219	C2	C1	H6	127.208
C2	C5	C3	87.219	C2	C5	C4	87.219
C2	C5	H7	127.208	C3	C1	C4	87.219
C3	C1	H6	127.208	C3	C5	C4	87.219
C3	C5	H7	127.208	C4	C1	H6	127.208
C4	C5	H7	127.208	C5	C2	H8	116.537
C5	C2	H9	116.537	C5	C3	H10	116.537
C5	C3	H11	116.537	C5	C4	H12	116.537
C5	C4	H13	116.537	H8	C2	H9	111.756
H10	C3	H11	111.756	H12	C4	H13	111.756

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

using model chemistry: MP2/6-31+G**

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: MP2/6-31+G**

States and conformations

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