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	hartrees
Energy at 0K	-194.629358
Energy at 298.15K
HF Energy	-193.904018
Nuclear repulsion energy	178.896338

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁'	3116	2989
2	A₁'	3061	2937
3	A₁'	1585	1520
4	A₁'	1143	1096
5	A₁'	927	889
6	A₁"	1007	966
7	A₂'	3117	2990
8	A₂'	982	942
9	A₂"	3110	2984
10	A₂"	1278	1226
11	A₂"	860	825
12	E'	3123	2996
12	E'	3123	2996
13	E'	3057	2932
13	E'	3057	2932
14	E'	1537	1474
14	E'	1536	1474
15	E'	1278	1226
15	E'	1278	1226
16	E'	1133	1087
16	E'	1133	1087
17	E'	915	878
17	E'	915	878
18	E'	555	533
18	E'	554	532
19	E"	1228	1178
19	E"	1228	1178
20	E"	1166	1118
20	E"	1166	1118
21	E"	1039	997
21	E"	1039	996
22	E"	805	772
22	E"	805	772

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.942
C2	0.000	1.240	0.000
C3	1.074	-0.620	0.000
C4	-1.074	-0.620	0.000
C5	0.000	0.000	-0.942
H6	0.000	0.000	2.040
H7	0.000	0.000	-2.040
H8	0.908	1.860	0.000
H9	-0.908	1.860	0.000
H10	1.156	-1.716	0.000
H11	2.064	-0.143	0.000
H12	-2.064	-0.143	0.000
H13	-1.156	-1.716	0.000

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13
C1		1.5576	1.5576	1.5576	1.8850	1.0974	2.9823	2.2739	2.2739	2.2739	2.2739	2.2739	2.2739
C2	1.5576		2.1480	2.1480	1.5576	2.3872	2.3872	1.0991	1.0991	3.1744	2.4851	2.4851	3.1744
C3	1.5576	2.1480		2.1480	1.5576	2.3872	2.3872	2.4851	3.1744	1.0991	1.0991	3.1744	2.4851
C4	1.5576	2.1480	2.1480		1.5576	2.3872	2.3872	3.1744	2.4851	2.4851	3.1744	1.0991	1.0991
C5	1.8850	1.5576	1.5576	1.5576		2.9823	1.0974	2.2739	2.2739	2.2739	2.2739	2.2739	2.2739
H6	1.0974	2.3872	2.3872	2.3872	2.9823		4.0797	2.9057	2.9057	2.9057	2.9057	2.9057	2.9057
H7	2.9823	2.3872	2.3872	2.3872	1.0974	4.0797		2.9057	2.9057	2.9057	2.9057	2.9057	2.9057
H8	2.2739	1.0991	2.4851	3.1744	2.2739	2.9057	2.9057		1.8160	3.5842	2.3128	3.5842	4.1288
H9	2.2739	1.0991	3.1744	2.4851	2.2739	2.9057	2.9057	1.8160		4.1288	3.5842	2.3128	3.5842
H10	2.2739	3.1744	1.0991	2.4851	2.2739	2.9057	2.9057	3.5842	4.1288		1.8160	3.5842	2.3128
H11	2.2739	2.4851	1.0991	3.1744	2.2739	2.9057	2.9057	2.3128	3.5842	1.8160		4.1288	3.5842
H12	2.2739	2.4851	3.1744	1.0991	2.2739	2.9057	2.9057	3.5842	2.3128	3.5842	4.1288		1.8160
H13	2.2739	3.1744	2.4851	1.0991	2.2739	2.9057	2.9057	4.1288	3.5842	2.3128	3.5842	1.8160

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C5	74.468	C1	C2	H8	116.657
C1	C2	H9	116.657	C1	C3	C5	74.468
C1	C3	H10	116.657	C1	C3	H11	116.657
C1	C4	C5	74.468	C1	C4	H12	116.657
C1	C4	H13	116.657	C2	C1	C3	87.181
C2	C1	C4	87.181	C2	C1	H6	127.234
C2	C5	C3	87.181	C2	C5	C4	87.181
C2	C5	H7	127.234	C3	C1	C4	87.181
C3	C1	H6	127.234	C3	C5	C4	87.181
C3	C5	H7	127.234	C4	C1	H6	127.234
C4	C5	H7	127.234	C5	C2	H8	116.657
C5	C2	H9	116.657	C5	C3	H10	116.657
C5	C3	H11	116.657	C5	C4	H12	116.657
C5	C4	H13	116.657	H8	C2	H9	111.401
H10	C3	H11	111.401	H12	C4	H13	111.401

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

using model chemistry: QCISD(T)/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: QCISD(T)/6-31G*

States and conformations

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