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	hartrees
Energy at 0K	-194.656956
Energy at 298.15K
HF Energy	-193.920721
Nuclear repulsion energy	180.112786

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁'	3190	2996	0.00
2	A₁'	3129	2939	0.00
3	A₁'	1597	1500	0.00
4	A₁'	1157	1087	0.00
5	A₁'	923	867	0.00
6	A₁"	1014	953	0.00
7	A₂'	3203	3008	0.00
8	A₂'	992	932	0.00
9	A₂"	3185	2992	121.38
10	A₂"	1282	1204	44.91
11	A₂"	872	819	6.05
12	E'	3207	3012	62.57
12	E'	3207	3012	62.57
13	E'	3126	2936	76.28
13	E'	3126	2936	76.28
14	E'	1546	1452	0.13
14	E'	1546	1452	0.13
15	E'	1286	1208	2.62
15	E'	1286	1208	2.62
16	E'	1141	1071	0.53
16	E'	1141	1071	0.53
17	E'	933	877	0.61
17	E'	933	877	0.61
18	E'	558	524	0.14
18	E'	558	524	0.14
19	E"	1244	1168	0.00
19	E"	1244	1168	0.00
20	E"	1165	1094	0.00
20	E"	1165	1094	0.00
21	E"	1044	980	0.00
21	E"	1044	980	0.00
22	E"	823	773	0.00
22	E"	823	773	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.936
C2	0.000	1.233	0.000
C3	1.068	-0.616	0.000
C4	-1.068	-0.616	0.000
C5	0.000	0.000	-0.936
H6	0.000	0.000	2.024
H7	0.000	0.000	-2.024
H8	0.903	1.844	0.000
H9	-0.903	1.844	0.000
H10	1.146	-1.704	0.000
H11	2.049	-0.140	0.000
H12	-2.049	-0.140	0.000
H13	-1.146	-1.704	0.000

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13
C1		1.5479	1.5479	1.5479	1.8720	1.0882	2.9602	2.2566	2.2566	2.2566	2.2566	2.2566	2.2566
C2	1.5479		2.1354	2.1354	1.5479	2.3701	2.3701	1.0902	1.0902	3.1524	2.4663	2.4663	3.1524
C3	1.5479	2.1354		2.1354	1.5479	2.3701	2.3701	2.4663	3.1524	1.0902	1.0902	3.1524	2.4663
C4	1.5479	2.1354	2.1354		1.5479	2.3701	2.3701	3.1524	2.4663	2.4663	3.1524	1.0902	1.0902
C5	1.8720	1.5479	1.5479	1.5479		2.9602	1.0882	2.2566	2.2566	2.2566	2.2566	2.2566	2.2566
H6	1.0882	2.3701	2.3701	2.3701	2.9602		4.0483	2.8833	2.8833	2.8833	2.8833	2.8833	2.8833
H7	2.9602	2.3701	2.3701	2.3701	1.0882	4.0483		2.8833	2.8833	2.8833	2.8833	2.8833	2.8833
H8	2.2566	1.0902	2.4663	3.1524	2.2566	2.8833	2.8833		1.8052	3.5565	2.2919	3.5565	4.0971
H9	2.2566	1.0902	3.1524	2.4663	2.2566	2.8833	2.8833	1.8052		4.0971	3.5565	2.2919	3.5565
H10	2.2566	3.1524	1.0902	2.4663	2.2566	2.8833	2.8833	3.5565	4.0971		1.8052	3.5565	2.2919
H11	2.2566	2.4663	1.0902	3.1524	2.2566	2.8833	2.8833	2.2919	3.5565	1.8052		4.0971	3.5565
H12	2.2566	2.4663	3.1524	1.0902	2.2566	2.8833	2.8833	3.5565	2.2919	3.5565	4.0971		1.8052
H13	2.2566	3.1524	2.4663	1.0902	2.2566	2.8833	2.8833	4.0971	3.5565	2.2919	3.5565	1.8052

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C5	74.413	C1	C2	H8	116.533
C1	C2	H9	116.533	C1	C3	C5	74.413
C1	C3	H10	116.533	C1	C3	H11	116.533
C1	C4	C5	74.413	C1	C4	H12	116.533
C1	C4	H13	116.533	C2	C1	C3	87.222
C2	C1	C4	87.222	C2	C1	H6	127.206
C2	C5	C3	87.222	C2	C5	C4	87.222
C2	C5	H7	127.206	C3	C1	C4	87.222
C3	C1	H6	127.206	C3	C5	C4	87.222
C3	C5	H7	127.206	C4	C1	H6	127.206
C4	C5	H7	127.206	C5	C2	H8	116.533
C5	C2	H9	116.533	C5	C3	H10	116.533
C5	C3	H11	116.533	C5	C4	H12	116.533
C5	C4	H13	116.533	H8	C2	H9	111.767
H10	C3	H11	111.767	H12	C4	H13	111.767

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

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

States and conformations

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