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	hartrees
Energy at 0K	-194.261297
Energy at 298.15K
HF Energy	-193.825733
Nuclear repulsion energy	174.818617

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁'	3147	3031	0.00
2	A₁'	3061	2948	0.00
3	A₁'	1566	1509	0.00
4	A₁'	1106	1065	0.00
5	A₁'	905	872	0.00
6	A₁"	989	952	0.00
7	A₂'	3137	3021	0.00
8	A₂'	970	934	0.00
9	A₂"	3137	3021	106.79
10	A₂"	1239	1193	40.61
11	A₂"	794	765	10.13
12	E'	3146	3030	67.65
12	E'	3146	3030	67.65
13	E'	3056	2943	89.92
13	E'	3056	2943	89.92
14	E'	1530	1474	1.75
14	E'	1530	1474	1.75
15	E'	1221	1176	0.21
15	E'	1221	1176	0.21
16	E'	1109	1068	0.09
16	E'	1109	1068	0.09
17	E'	864	832	3.55
17	E'	864	832	3.55
18	E'	541	521	0.30
18	E'	541	521	0.30
19	E"	1230	1184	0.00
19	E"	1230	1184	0.00
20	E"	1123	1081	0.00
20	E"	1123	1081	0.00
21	E"	1028	990	0.00
21	E"	1028	990	0.00
22	E"	760	732	0.00
22	E"	760	732	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.973
C2	0.000	1.275	0.000
C3	1.104	-0.637	0.000
C4	-1.104	-0.637	0.000
C5	0.000	0.000	-0.973
H6	0.000	0.000	2.072
H7	0.000	0.000	-2.072
H8	0.916	1.891	0.000
H9	-0.916	1.891	0.000
H10	1.179	-1.739	0.000
H11	2.095	-0.152	0.000
H12	-2.095	-0.152	0.000
H13	-1.179	-1.739	0.000

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13
C1		1.6038	1.6038	1.6038	1.9469	1.0990	3.0459	2.3155	2.3155	2.3155	2.3155	2.3155	2.3155
C2	1.6038		2.2077	2.2077	1.6038	2.4330	2.4330	1.1039	1.1039	3.2358	2.5350	2.5350	3.2358
C3	1.6038	2.2077		2.2077	1.6038	2.4330	2.4330	2.5350	3.2358	1.1039	1.1039	3.2358	2.5350
C4	1.6038	2.2077	2.2077		1.6038	2.4330	2.4330	3.2358	2.5350	2.5350	3.2358	1.1039	1.1039
C5	1.9469	1.6038	1.6038	1.6038		3.0459	1.0990	2.3155	2.3155	2.3155	2.3155	2.3155	2.3155
H6	1.0990	2.4330	2.4330	2.4330	3.0459		4.1449	2.9511	2.9511	2.9511	2.9511	2.9511	2.9511
H7	3.0459	2.4330	2.4330	2.4330	1.0990	4.1449		2.9511	2.9511	2.9511	2.9511	2.9511	2.9511
H8	2.3155	1.1039	2.5350	3.2358	2.3155	2.9511	2.9511		1.8319	3.6389	2.3589	3.6389	4.1908
H9	2.3155	1.1039	3.2358	2.5350	2.3155	2.9511	2.9511	1.8319		4.1908	3.6389	2.3589	3.6389
H10	2.3155	3.2358	1.1039	2.5350	2.3155	2.9511	2.9511	3.6389	4.1908		1.8319	3.6389	2.3589
H11	2.3155	2.5350	1.1039	3.2358	2.3155	2.9511	2.9511	2.3589	3.6389	1.8319		4.1908	3.6389
H12	2.3155	2.5350	3.2358	1.1039	2.3155	2.9511	2.9511	3.6389	2.3589	3.6389	4.1908		1.8319
H13	2.3155	3.2358	2.5350	1.1039	2.3155	2.9511	2.9511	4.1908	3.6389	2.3589	3.6389	1.8319

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C5	74.739	C1	C2	H8	116.332
C1	C2	H9	116.332	C1	C3	C5	74.739
C1	C3	H10	116.332	C1	C3	H11	116.332
C1	C4	C5	74.739	C1	C4	H12	116.332
C1	C4	H13	116.332	C2	C1	C3	86.986
C2	C1	C4	86.986	C2	C1	H6	127.370
C2	C5	C3	86.986	C2	C5	C4	86.986
C2	C5	H7	127.370	C3	C1	C4	86.986
C3	C1	H6	127.370	C3	C5	C4	86.986
C3	C5	H7	127.370	C4	C1	H6	127.370
C4	C5	H7	127.370	C5	C2	H8	116.332
C5	C2	H9	116.332	C5	C3	H10	116.332
C5	C3	H11	116.332	C5	C4	H12	116.332
C5	C4	H13	116.332	H8	C2	H9	112.145
H10	C3	H11	112.145	H12	C4	H13	112.145

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

using model chemistry: MP2/LANL2DZ

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: MP2/LANL2DZ

States and conformations

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