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	hartrees
Energy at 0K	-194.627902
Energy at 298.15K
HF Energy	-193.904104
Nuclear repulsion energy	178.985061

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁'	3119	2978
2	A₁'	3065	2927
3	A₁'	1586	1514
4	A₁'	1144	1092
5	A₁'	924	882
6	A₁"	1007	962
7	A₂'	3125	2984
8	A₂'	983	939
9	A₂"	3114	2973
10	A₂"	1277	1219
11	A₂"	861	822
12	E'	3131	2989
12	E'	3131	2989
13	E'	3061	2923
13	E'	3061	2923
14	E'	1537	1468
14	E'	1537	1467
15	E'	1278	1220
15	E'	1278	1220
16	E'	1133	1082
16	E'	1133	1082
17	E'	918	876
17	E'	918	876
18	E'	555	530
18	E'	554	529
19	E"	1229	1173
19	E"	1228	1173
20	E"	1165	1112
20	E"	1165	1112
21	E"	1040	993
21	E"	1039	992
22	E"	807	770
22	E"	807	770

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.942
C2	0.000	1.240	0.000
C3	1.073	-0.620	0.000
C4	-1.073	-0.620	0.000
C5	0.000	0.000	-0.942
H6	0.000	0.000	2.039
H7	0.000	0.000	-2.039
H8	0.908	1.859	0.000
H9	-0.908	1.859	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		1.5566	1.5566	1.5566	1.8833	1.0974	2.9807	2.2729	2.2729	2.2729	2.2729	2.2729	2.2729
C2	1.5566		2.1469	2.1469	1.5566	2.3863	2.3863	1.0990	1.0990	3.1732	2.4841	2.4841	3.1732
C3	1.5566	2.1469		2.1469	1.5566	2.3863	2.3863	2.4841	3.1732	1.0990	1.0990	3.1732	2.4841
C4	1.5566	2.1469	2.1469		1.5566	2.3863	2.3863	3.1732	2.4841	2.4841	3.1732	1.0990	1.0990
C5	1.8833	1.5566	1.5566	1.5566		2.9807	1.0974	2.2729	2.2729	2.2729	2.2729	2.2729	2.2729
H6	1.0974	2.3863	2.3863	2.3863	2.9807		4.0782	2.9047	2.9047	2.9047	2.9047	2.9047	2.9047
H7	2.9807	2.3863	2.3863	2.3863	1.0974	4.0782		2.9047	2.9047	2.9047	2.9047	2.9047	2.9047
H8	2.2729	1.0990	2.4841	3.1732	2.2729	2.9047	2.9047		1.8157	3.5831	2.3117	3.5831	4.1275
H9	2.2729	1.0990	3.1732	2.4841	2.2729	2.9047	2.9047	1.8157		4.1275	3.5831	2.3117	3.5831
H10	2.2729	3.1732	1.0990	2.4841	2.2729	2.9047	2.9047	3.5831	4.1275		1.8157	3.5831	2.3117
H11	2.2729	2.4841	1.0990	3.1732	2.2729	2.9047	2.9047	2.3117	3.5831	1.8157		4.1275	3.5831
H12	2.2729	2.4841	3.1732	1.0990	2.2729	2.9047	2.9047	3.5831	2.3117	3.5831	4.1275		1.8157
H13	2.2729	3.1732	2.4841	1.0990	2.2729	2.9047	2.9047	4.1275	3.5831	2.3117	3.5831	1.8157

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C5	74.446	C1	C2	H8	116.662
C1	C2	H9	116.662	C1	C3	C5	74.446
C1	C3	H10	116.662	C1	C3	H11	116.662
C1	C4	C5	74.446	C1	C4	H12	116.662
C1	C4	H13	116.662	C2	C1	C3	87.197
C2	C1	C4	87.197	C2	C1	H6	127.223
C2	C5	C3	87.197	C2	C5	C4	87.197
C2	C5	H7	127.223	C3	C1	C4	87.197
C3	C1	H6	127.223	C3	C5	C4	87.197
C3	C5	H7	127.223	C4	C1	H6	127.223
C4	C5	H7	127.223	C5	C2	H8	116.662
C5	C2	H9	116.662	C5	C3	H10	116.662
C5	C3	H11	116.662	C5	C4	H12	116.662
C5	C4	H13	116.662	H8	C2	H9	111.399
H10	C3	H11	111.399	H12	C4	H13	111.399

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

using model chemistry: MP4/6-31G*

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: MP4/6-31G*

States and conformations

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