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	hartrees
Energy at 0K	-195.005777
Energy at 298.15K
HF Energy	-193.965486
Nuclear repulsion energy	179.691771

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁'	3118	3118
2	A₁'	3111	3111
3	A₁'	3051	3051
4	A₁'	1552	1552
5	A₁'	1130	1130
6	A₁'	909	909
7	A₁"	1003	1003
8	A₂'	957	957
9	A₂"	3106	3106
10	A₂"	1250	1250
11	A₂"	856	856
12	E'	3122	3122
12	E'	3122	3122
13	E'	3047	3047
13	E'	3047	3047
14	E'	1500	1500
14	E'	1499	1499
15	E'	1265	1265
15	E'	1265	1265
16	E'	1115	1115
16	E'	1115	1115
17	E'	914	914
17	E'	914	914
18	E'	540	540
18	E'	539	539
19	E"	1215	1215
19	E"	1214	1214
20	E"	1147	1147
20	E"	1147	1147
21	E"	1030	1030
21	E"	1030	1030
22	E"	801	801
22	E"	801	801

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.938
C2	0.000	1.236	0.000
C3	1.070	-0.618	0.000
C4	-1.070	-0.618	0.000
C5	0.000	0.000	-0.938
H6	0.000	0.000	2.029
H7	0.000	0.000	-2.029
H8	0.905	1.848	0.000
H9	-0.905	1.848	0.000
H10	1.148	-1.708	0.000
H11	2.053	-0.140	0.000
H12	-2.053	-0.140	0.000
H13	-1.148	-1.708	0.000

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13
C1		1.5518	1.5518	1.5518	1.8770	1.0905	2.9674	2.2613	2.2613	2.2613	2.2613	2.2613	2.2613
C2	1.5518		2.1406	2.1406	1.5518	2.3757	2.3757	1.0923	1.0923	3.1593	2.4712	2.4712	3.1593
C3	1.5518	2.1406		2.1406	1.5518	2.3757	2.3757	2.4712	3.1593	1.0923	1.0923	3.1593	2.4712
C4	1.5518	2.1406	2.1406		1.5518	2.3757	2.3757	3.1593	2.4712	2.4712	3.1593	1.0923	1.0923
C5	1.8770	1.5518	1.5518	1.5518		2.9674	1.0905	2.2613	2.2613	2.2613	2.2613	2.2613	2.2613
H6	1.0905	2.3757	2.3757	2.3757	2.9674		4.0579	2.8896	2.8896	2.8896	2.8896	2.8896	2.8896
H7	2.9674	2.3757	2.3757	2.3757	1.0905	4.0579		2.8896	2.8896	2.8896	2.8896	2.8896	2.8896
H8	2.2613	1.0923	2.4712	3.1593	2.2613	2.8896	2.8896		1.8098	3.5635	2.2955	3.5635	4.1053
H9	2.2613	1.0923	3.1593	2.4712	2.2613	2.8896	2.8896	1.8098		4.1053	3.5635	2.2955	3.5635
H10	2.2613	3.1593	1.0923	2.4712	2.2613	2.8896	2.8896	3.5635	4.1053		1.8098	3.5635	2.2955
H11	2.2613	2.4712	1.0923	3.1593	2.2613	2.8896	2.8896	2.2955	3.5635	1.8098		4.1053	3.5635
H12	2.2613	2.4712	3.1593	1.0923	2.2613	2.8896	2.8896	3.5635	2.2955	3.5635	4.1053		1.8098
H13	2.2613	3.1593	2.4712	1.0923	2.2613	2.8896	2.8896	4.1053	3.5635	2.2955	3.5635	1.8098

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C5	74.422	C1	C2	H8	116.493
C1	C2	H9	116.493	C1	C3	C5	74.422
C1	C3	H10	116.493	C1	C3	H11	116.493
C1	C4	C5	74.422	C1	C4	H12	116.493
C1	C4	H13	116.493	C2	C1	C3	87.215
C2	C1	C4	87.215	C2	C1	H6	127.211
C2	C5	C3	87.215	C2	C5	C4	87.215
C2	C5	H7	127.211	C3	C1	C4	87.215
C3	C1	H6	127.211	C3	C5	C4	87.215
C3	C5	H7	127.211	C4	C1	H6	127.211
C4	C5	H7	127.211	C5	C2	H8	116.493
C5	C2	H9	116.493	C5	C3	H10	116.493
C5	C3	H11	116.493	C5	C4	H12	116.493
C5	C4	H13	116.493	H8	C2	H9	111.872
H10	C3	H11	111.872	H12	C4	H13	111.872

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

using model chemistry: MP4=FULL/6-311+G(3df,2p)

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: MP4=FULL/6-311+G(3df,2p)

States and conformations

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