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	hartrees
Energy at 0K	-194.623392
Energy at 298.15K
HF Energy	-193.918569
Nuclear repulsion energy	180.102238

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁'	3198	2995	0.00
2	A₁'	3136	2937	0.00
3	A₁'	1606	1504	0.00
4	A₁'	1164	1090	0.00
5	A₁'	927	869	0.00
6	A₁"	1026	961	0.00
7	A₂'	3209	3005	0.00
8	A₂'	995	932	0.00
9	A₂"	3192	2990	108.52
10	A₂"	1296	1214	30.19
11	A₂"	882	826	3.55
12	E'	3214	3010	56.73
12	E'	3214	3010	56.73
13	E'	3133	2934	64.50
13	E'	3133	2934	64.50
14	E'	1554	1456	0.00
14	E'	1554	1456	0.00
15	E'	1301	1218	1.52
15	E'	1301	1218	1.52
16	E'	1147	1074	0.61
16	E'	1147	1074	0.61
17	E'	941	882	0.20
17	E'	941	882	0.20
18	E'	557	522	0.15
18	E'	557	522	0.15
19	E"	1249	1170	0.00
19	E"	1249	1170	0.00
20	E"	1179	1104	0.00
20	E"	1179	1104	0.00
21	E"	1057	990	0.00
21	E"	1057	990	0.00
22	E"	830	777	0.00
22	E"	830	777	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.936
C2	0.000	1.233	0.000
C3	1.067	-0.616	0.000
C4	-1.067	-0.616	0.000
C5	0.000	0.000	-0.936
H6	0.000	0.000	2.025
H7	0.000	0.000	-2.025
H8	0.902	1.845	0.000
H9	-0.902	1.845	0.000
H10	1.146	-1.704	0.000
H11	2.049	-0.141	0.000
H12	-2.049	-0.141	0.000
H13	-1.146	-1.704	0.000

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13
C1		1.5478	1.5478	1.5478	1.8725	1.0886	2.9611	2.2571	2.2571	2.2571	2.2571	2.2571	2.2571
C2	1.5478		2.1349	2.1349	1.5478	2.3705	2.3705	1.0906	1.0906	3.1525	2.4667	2.4667	3.1525
C3	1.5478	2.1349		2.1349	1.5478	2.3705	2.3705	2.4667	3.1525	1.0906	1.0906	3.1525	2.4667
C4	1.5478	2.1349	2.1349		1.5478	2.3705	2.3705	3.1525	2.4667	2.4667	3.1525	1.0906	1.0906
C5	1.8725	1.5478	1.5478	1.5478		2.9611	1.0886	2.2571	2.2571	2.2571	2.2571	2.2571	2.2571
H6	1.0886	2.3705	2.3705	2.3705	2.9611		4.0497	2.8841	2.8841	2.8841	2.8841	2.8841	2.8841
H7	2.9611	2.3705	2.3705	2.3705	1.0886	4.0497		2.8841	2.8841	2.8841	2.8841	2.8841	2.8841
H8	2.2571	1.0906	2.4667	3.1525	2.2571	2.8841	2.8841		1.8050	3.5573	2.2929	3.5573	4.0979
H9	2.2571	1.0906	3.1525	2.4667	2.2571	2.8841	2.8841	1.8050		4.0979	3.5573	2.2929	3.5573
H10	2.2571	3.1525	1.0906	2.4667	2.2571	2.8841	2.8841	3.5573	4.0979		1.8050	3.5573	2.2929
H11	2.2571	2.4667	1.0906	3.1525	2.2571	2.8841	2.8841	2.2929	3.5573	1.8050		4.0979	3.5573
H12	2.2571	2.4667	3.1525	1.0906	2.2571	2.8841	2.8841	3.5573	2.2929	3.5573	4.0979		1.8050
H13	2.2571	3.1525	2.4667	1.0906	2.2571	2.8841	2.8841	4.0979	3.5573	2.2929	3.5573	1.8050

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C5	74.441	C1	C2	H8	116.557
C1	C2	H9	116.557	C1	C3	C5	74.441
C1	C3	H10	116.557	C1	C3	H11	116.557
C1	C4	C5	74.441	C1	C4	H12	116.557
C1	C4	H13	116.557	C2	C1	C3	87.201
C2	C1	C4	87.201	C2	C1	H6	127.221
C2	C5	C3	87.201	C2	C5	C4	87.201
C2	C5	H7	127.221	C3	C1	C4	87.201
C3	C1	H6	127.221	C3	C5	C4	87.201
C3	C5	H7	127.221	C4	C1	H6	127.221
C4	C5	H7	127.221	C5	C2	H8	116.557
C5	C2	H9	116.557	C5	C3	H10	116.557
C5	C3	H11	116.557	C5	C4	H12	116.557
C5	C4	H13	116.557	H8	C2	H9	111.689
H10	C3	H11	111.689	H12	C4	H13	111.689

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)