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	hartrees
Energy at 0K	-194.826618
Energy at 298.15K
HF Energy	-193.949436
Nuclear repulsion energy	179.321400

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁'	3176	3176	0.00
2	A₁'	3109	3109	0.00
3	A₁'	1585	1585	0.00
4	A₁'	1155	1155	0.00
5	A₁'	936	936	0.00
6	A₁"	1021	1021	0.00
7	A₂'	3169	3169	0.00
8	A₂'	984	984	0.00
9	A₂"	3170	3170	114.71
10	A₂"	1292	1292	37.14
11	A₂"	871	871	5.70
12	E'	3174	3174	65.75
12	E'	3174	3174	65.75
13	E'	3103	3103	71.84
13	E'	3103	3103	71.84
14	E'	1536	1536	0.18
14	E'	1536	1536	0.18
15	E'	1292	1292	1.96
15	E'	1292	1292	1.96
16	E'	1139	1139	0.44
16	E'	1139	1139	0.44
17	E'	927	927	0.45
17	E'	927	927	0.45
18	E'	555	555	0.20
18	E'	555	555	0.20
19	E"	1239	1239	0.00
19	E"	1239	1239	0.00
20	E"	1177	1177	0.00
20	E"	1177	1177	0.00
21	E"	1047	1047	0.00
21	E"	1047	1047	0.00
22	E"	819	819	0.00
22	E"	819	819	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.942
C2	0.000	1.238	0.000
C3	1.072	-0.619	0.000
C4	-1.072	-0.619	0.000
C5	0.000	0.000	-0.942
H6	0.000	0.000	2.032
H7	0.000	0.000	-2.032
H8	0.906	1.850	0.000
H9	-0.906	1.850	0.000
H10	1.150	-1.710	0.000
H11	2.055	-0.141	0.000
H12	-2.055	-0.141	0.000
H13	-1.150	-1.710	0.000

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13
C1		1.5558	1.5558	1.5558	1.8837	1.0901	2.9738	2.2653	2.2653	2.2653	2.2653	2.2653	2.2653
C2	1.5558		2.1449	2.1449	1.5558	2.3796	2.3796	1.0932	1.0932	3.1643	2.4752	2.4752	3.1643
C3	1.5558	2.1449		2.1449	1.5558	2.3796	2.3796	2.4752	3.1643	1.0932	1.0932	3.1643	2.4752
C4	1.5558	2.1449	2.1449		1.5558	2.3796	2.3796	3.1643	2.4752	2.4752	3.1643	1.0932	1.0932
C5	1.8837	1.5558	1.5558	1.5558		2.9738	1.0901	2.2653	2.2653	2.2653	2.2653	2.2653	2.2653
H6	1.0901	2.3796	2.3796	2.3796	2.9738		4.0639	2.8937	2.8937	2.8937	2.8937	2.8937	2.8937
H7	2.9738	2.3796	2.3796	2.3796	1.0901	4.0639		2.8937	2.8937	2.8937	2.8937	2.8937	2.8937
H8	2.2653	1.0932	2.4752	3.1643	2.2653	2.8937	2.8937		1.8117	3.5684	2.2992	3.5684	4.1109
H9	2.2653	1.0932	3.1643	2.4752	2.2653	2.8937	2.8937	1.8117		4.1109	3.5684	2.2992	3.5684
H10	2.2653	3.1643	1.0932	2.4752	2.2653	2.8937	2.8937	3.5684	4.1109		1.8117	3.5684	2.2992
H11	2.2653	2.4752	1.0932	3.1643	2.2653	2.8937	2.8937	2.2992	3.5684	1.8117		4.1109	3.5684
H12	2.2653	2.4752	3.1643	1.0932	2.2653	2.8937	2.8937	3.5684	2.2992	3.5684	4.1109		1.8117
H13	2.2653	3.1643	2.4752	1.0932	2.2653	2.8937	2.8937	4.1109	3.5684	2.2992	3.5684	1.8117

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C5	74.510	C1	C2	H8	116.463
C1	C2	H9	116.463	C1	C3	C5	74.510
C1	C3	H10	116.463	C1	C3	H11	116.463
C1	C4	C5	74.510	C1	C4	H12	116.463
C1	C4	H13	116.463	C2	C1	C3	87.151
C2	C1	C4	87.151	C2	C1	H6	127.255
C2	C5	C3	87.151	C2	C5	C4	87.151
C2	C5	H7	127.255	C3	C1	C4	87.151
C3	C1	H6	127.255	C3	C5	C4	87.151
C3	C5	H7	127.255	C4	C1	H6	127.255
C4	C5	H7	127.255	C5	C2	H8	116.463
C5	C2	H9	116.463	C5	C3	H10	116.463
C5	C3	H11	116.463	C5	C4	H12	116.463
C5	C4	H13	116.463	H8	C2	H9	111.909
H10	C3	H11	111.909	H12	C4	H13	111.909

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

using model chemistry: MP3=FULL/6-311G**

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/6-311G**

States and conformations

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