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	hartrees
Energy at 0K	-194.702465
Energy at 298.15K
HF Energy	-193.935735
Nuclear repulsion energy	178.544749

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁'	3093	2977
2	A₁'	3034	2922
3	A₁'	1566	1508
4	A₁'	1134	1092
5	A₁'	920	885
6	A₁"	997	959
7	A₂'	3092	2977
8	A₂'	965	929
9	A₂"	3087	2972
10	A₂"	1255	1209
11	A₂"	849	818
12	E'	3099	2984
12	E'	3099	2984
13	E'	3029	2916
13	E'	3029	2916
14	E'	1516	1460
14	E'	1516	1459
15	E'	1254	1207
15	E'	1254	1207
16	E'	1118	1077
16	E'	1118	1076
17	E'	904	870
17	E'	904	870
18	E'	551	531
18	E'	550	530
19	E"	1208	1163
19	E"	1208	1163
20	E"	1147	1104
20	E"	1147	1104
21	E"	1023	985
21	E"	1023	985
22	E"	796	766
22	E"	796	766

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.946
C2	0.000	1.243	0.000
C3	1.076	-0.622	0.000
C4	-1.076	-0.622	0.000
C5	0.000	0.000	-0.946
H6	0.000	0.000	2.043
H7	0.000	0.000	-2.043
H8	0.908	1.861	0.000
H9	-0.908	1.861	0.000
H10	1.158	-1.717	0.000
H11	2.066	-0.144	0.000
H12	-2.066	-0.144	0.000
H13	-1.158	-1.717	0.000

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13
C1		1.5619	1.5619	1.5619	1.8916	1.0970	2.9886	2.2767	2.2767	2.2767	2.2767	2.2767	2.2767
C2	1.5619		2.1530	2.1530	1.5619	2.3912	2.3912	1.0987	1.0987	3.1785	2.4883	2.4883	3.1785
C3	1.5619	2.1530		2.1530	1.5619	2.3912	2.3912	2.4883	3.1785	1.0987	1.0987	3.1785	2.4883
C4	1.5619	2.1530	2.1530		1.5619	2.3912	2.3912	3.1785	2.4883	2.4883	3.1785	1.0987	1.0987
C5	1.8916	1.5619	1.5619	1.5619		2.9886	1.0970	2.2767	2.2767	2.2767	2.2767	2.2767	2.2767
H6	1.0970	2.3912	2.3912	2.3912	2.9886		4.0856	2.9089	2.9089	2.9089	2.9089	2.9089	2.9089
H7	2.9886	2.3912	2.3912	2.3912	1.0970	4.0856		2.9089	2.9089	2.9089	2.9089	2.9089	2.9089
H8	2.2767	1.0987	2.4883	3.1785	2.2767	2.9089	2.9089		1.8168	3.5870	2.3151	3.5870	4.1319
H9	2.2767	1.0987	3.1785	2.4883	2.2767	2.9089	2.9089	1.8168		4.1319	3.5870	2.3151	3.5870
H10	2.2767	3.1785	1.0987	2.4883	2.2767	2.9089	2.9089	3.5870	4.1319		1.8168	3.5870	2.3151
H11	2.2767	2.4883	1.0987	3.1785	2.2767	2.9089	2.9089	2.3151	3.5870	1.8168		4.1319	3.5870
H12	2.2767	2.4883	3.1785	1.0987	2.2767	2.9089	2.9089	3.5870	2.3151	3.5870	4.1319		1.8168
H13	2.2767	3.1785	2.4883	1.0987	2.2767	2.9089	2.9089	4.1319	3.5870	2.3151	3.5870	1.8168

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C5	74.535	C1	C2	H8	116.595
C1	C2	H9	116.595	C1	C3	C5	74.535
C1	C3	H10	116.595	C1	C3	H11	116.595
C1	C4	C5	74.535	C1	C4	H12	116.595
C1	C4	H13	116.595	C2	C1	C3	87.133
C2	C1	C4	87.133	C2	C1	H6	127.268
C2	C5	C3	87.133	C2	C5	C4	87.133
C2	C5	H7	127.268	C3	C1	C4	87.133
C3	C1	H6	127.268	C3	C5	C4	87.133
C3	C5	H7	127.268	C4	C1	H6	127.268
C4	C5	H7	127.268	C5	C2	H8	116.595
C5	C2	H9	116.595	C5	C3	H10	116.595
C5	C3	H11	116.595	C5	C4	H12	116.595
C5	C4	H13	116.595	H8	C2	H9	111.536
H10	C3	H11	111.536	H12	C4	H13	111.536

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

using model chemistry: QCISD(T)/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: QCISD(T)/6-311G*

States and conformations

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