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	hartrees
Energy at 0K	-194.689134
Energy at 298.15K
HF Energy	-193.918673
Nuclear repulsion energy	180.005014

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁'	3226	3226	0.00
2	A₁'	3159	3159	0.00
3	A₁'	1621	1621	0.00
4	A₁'	1168	1168	0.00
5	A₁'	946	946	0.00
6	A₁"	1037	1037	0.00
7	A₂'	3221	3221	0.00
8	A₂'	999	999	0.00
9	A₂"	3219	3219	110.67
10	A₂"	1317	1317	28.01
11	A₂"	885	885	3.85
12	E'	3227	3227	62.43
12	E'	3227	3227	62.43
13	E'	3153	3153	68.31
13	E'	3153	3153	68.31
14	E'	1571	1571	0.01
14	E'	1571	1571	0.01
15	E'	1319	1319	1.05
15	E'	1319	1319	1.05
16	E'	1157	1157	0.80
16	E'	1157	1157	0.80
17	E'	943	943	0.33
17	E'	943	943	0.33
18	E'	562	562	0.15
18	E'	562	562	0.15
19	E"	1265	1265	0.00
19	E"	1265	1265	0.00
20	E"	1199	1199	0.00
20	E"	1199	1199	0.00
21	E"	1070	1070	0.00
21	E"	1070	1070	0.00
22	E"	830	830	0.00
22	E"	830	830	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.938
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	-0.938
H6	0.000	0.000	2.023
H7	0.000	0.000	-2.023
H8	0.900	1.846	0.000
H9	-0.900	1.846	0.000
H10	1.148	-1.702	0.000
H11	2.048	-0.144	0.000
H12	-2.048	-0.144	0.000
H13	-1.148	-1.702	0.000

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13
C1		1.5501	1.5501	1.5501	1.8763	1.0850	2.9612	2.2573	2.2573	2.2573	2.2573	2.2573	2.2573
C2	1.5501		2.1374	2.1374	1.5501	2.3698	2.3698	1.0878	1.0878	3.1526	2.4684	2.4684	3.1526
C3	1.5501	2.1374		2.1374	1.5501	2.3698	2.3698	2.4684	3.1526	1.0878	1.0878	3.1526	2.4684
C4	1.5501	2.1374	2.1374		1.5501	2.3698	2.3698	3.1526	2.4684	2.4684	3.1526	1.0878	1.0878
C5	1.8763	1.5501	1.5501	1.5501		2.9612	1.0850	2.2573	2.2573	2.2573	2.2573	2.2573	2.2573
H6	1.0850	2.3698	2.3698	2.3698	2.9612		4.0462	2.8824	2.8824	2.8824	2.8824	2.8824	2.8824
H7	2.9612	2.3698	2.3698	2.3698	1.0850	4.0462		2.8824	2.8824	2.8824	2.8824	2.8824	2.8824
H8	2.2573	1.0878	2.4684	3.1526	2.2573	2.8824	2.8824		1.7993	3.5562	2.2970	3.5562	4.0962
H9	2.2573	1.0878	3.1526	2.4684	2.2573	2.8824	2.8824	1.7993		4.0962	3.5562	2.2970	3.5562
H10	2.2573	3.1526	1.0878	2.4684	2.2573	2.8824	2.8824	3.5562	4.0962		1.7993	3.5562	2.2970
H11	2.2573	2.4684	1.0878	3.1526	2.2573	2.8824	2.8824	2.2970	3.5562	1.7993		4.0962	3.5562
H12	2.2573	2.4684	3.1526	1.0878	2.2573	2.8824	2.8824	3.5562	2.2970	3.5562	4.0962		1.7993
H13	2.2573	3.1526	2.4684	1.0878	2.2573	2.8824	2.8824	4.0962	3.5562	2.2970	3.5562	1.7993

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C5	74.485	C1	C2	H8	116.586
C1	C2	H9	116.586	C1	C3	C5	74.485
C1	C3	H10	116.586	C1	C3	H11	116.586
C1	C4	C5	74.485	C1	C4	H12	116.586
C1	C4	H13	116.586	C2	C1	C3	87.169
C2	C1	C4	87.169	C2	C1	H6	127.243
C2	C5	C3	87.169	C2	C5	C4	87.169
C2	C5	H7	127.243	C3	C1	C4	87.169
C3	C1	H6	127.243	C3	C5	C4	87.169
C3	C5	H7	127.243	C4	C1	H6	127.243
C4	C5	H7	127.243	C5	C2	H8	116.586
C5	C2	H9	116.586	C5	C3	H10	116.586
C5	C3	H11	116.586	C5	C4	H12	116.586
C5	C4	H13	116.586	H8	C2	H9	111.587
H10	C3	H11	111.587	H12	C4	H13	111.587

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

using model chemistry: MP3=FULL/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: MP3=FULL/6-31G**

States and conformations

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