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	hartrees
Energy at 0K	-193.339306
Energy at 298.15K
HF Energy	-192.822378
Nuclear repulsion energy	175.448098

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁'	3146	3051
2	A₁'	3055	2963
3	A₁'	1580	1532
4	A₁'	1111	1078
5	A₁'	931	903
6	A₁"	1018	987
7	A₂'	3122	3028
8	A₂'	955	926
9	A₂"	3132	3037
10	A₂"	1252	1214
11	A₂"	782	758
12	E'	3129	3035
12	E'	3129	3035
13	E'	3050	2958
13	E'	3050	2958
14	E'	1540	1493
14	E'	1539	1493
15	E'	1249	1212
15	E'	1249	1212
16	E'	1111	1077
16	E'	1104	1070
17	E'	857	831
17	E'	857	831
18	E'	544	527
18	E'	543	526
19	E"	1251	1213
19	E"	1251	1213
20	E"	1156	1121
20	E"	1156	1121
21	E"	1066	1034
21	E"	1066	1034
22	E"	734	711
22	E"	734	711

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.974
C2	0.000	1.270	0.000
C3	1.100	-0.635	0.000
C4	-1.100	-0.635	0.000
C5	0.000	0.000	-0.974
H6	0.000	0.000	2.065
H7	0.000	0.000	-2.065
H8	0.915	1.876	0.000
H9	-0.915	1.876	0.000
H10	1.167	-1.730	0.000
H11	2.082	-0.146	0.000
H12	-2.082	-0.146	0.000
H13	-1.167	-1.730	0.000

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13
C1		1.6004	1.6004	1.6004	1.9475	1.0910	3.0385	2.3030	2.3030	2.3030	2.3030	2.3030	2.3030
C2	1.6004		2.1997	2.1997	1.6004	2.4241	2.4241	1.0972	1.0972	3.2192	2.5177	2.5177	3.2192
C3	1.6004	2.1997		2.1997	1.6004	2.4241	2.4241	2.5177	3.2192	1.0972	1.0972	3.2192	2.5177
C4	1.6004	2.1997	2.1997		1.6004	2.4241	2.4241	3.2192	2.5177	2.5177	3.2192	1.0972	1.0972
C5	1.9475	1.6004	1.6004	1.6004		3.0385	1.0910	2.3030	2.3030	2.3030	2.3030	2.3030	2.3030
H6	1.0910	2.4241	2.4241	2.4241	3.0385		4.1296	2.9358	2.9358	2.9358	2.9358	2.9358	2.9358
H7	3.0385	2.4241	2.4241	2.4241	1.0910	4.1296		2.9358	2.9358	2.9358	2.9358	2.9358	2.9358
H8	2.3030	1.0972	2.5177	3.2192	2.3030	2.9358	2.9358		1.8294	3.6149	2.3345	3.6149	4.1639
H9	2.3030	1.0972	3.2192	2.5177	2.3030	2.9358	2.9358	1.8294		4.1639	3.6149	2.3345	3.6149
H10	2.3030	3.2192	1.0972	2.5177	2.3030	2.9358	2.9358	3.6149	4.1639		1.8294	3.6149	2.3345
H11	2.3030	2.5177	1.0972	3.2192	2.3030	2.9358	2.9358	2.3345	3.6149	1.8294		4.1639	3.6149
H12	2.3030	2.5177	3.2192	1.0972	2.3030	2.9358	2.9358	3.6149	2.3345	3.6149	4.1639		1.8294
H13	2.3030	3.2192	2.5177	1.0972	2.3030	2.9358	2.9358	4.1639	3.6149	2.3345	3.6149	1.8294

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C5	74.957	C1	C2	H8	115.992
C1	C2	H9	115.992	C1	C3	C5	74.957
C1	C3	H10	115.992	C1	C3	H11	115.992
C1	C4	C5	74.957	C1	C4	H12	115.992
C1	C4	H13	115.992	C2	C1	C3	86.828
C2	C1	C4	86.828	C2	C1	H6	127.478
C2	C5	C3	86.828	C2	C5	C4	86.828
C2	C5	H7	127.478	C3	C1	C4	86.828
C3	C1	H6	127.478	C3	C5	C4	86.828
C3	C5	H7	127.478	C4	C1	H6	127.478
C4	C5	H7	127.478	C5	C2	H8	115.992
C5	C2	H9	115.992	C5	C3	H10	115.992
C5	C3	H11	115.992	C5	C4	H12	115.992
C5	C4	H13	115.992	H8	C2	H9	112.959
H10	C3	H11	112.959	H12	C4	H13	112.959

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

using model chemistry: MP4/3-21G

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: MP4/3-21G

States and conformations

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