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	hartrees
Energy at 0K	-194.546664
Energy at 298.15K
HF Energy	-193.937492
Nuclear repulsion energy	180.187362

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁'	3219	2991	0.00
2	A₁'	3157	2933	0.00
3	A₁'	1634	1518	0.00
4	A₁'	1187	1102	0.00
5	A₁'	959	891	0.00
6	A₁"	1048	974	0.00
7	A₂'	3212	2984	0.00
8	A₂'	1008	937	0.00
9	A₂"	3211	2984	132.38
10	A₂"	1334	1240	43.41
11	A₂"	901	837	8.42
12	E'	3219	2991	76.43
12	E'	3219	2991	76.43
13	E'	3150	2926	78.83
13	E'	3150	2926	78.83
14	E'	1582	1470	0.49
14	E'	1582	1470	0.49
15	E'	1332	1238	2.26
15	E'	1332	1238	2.26
16	E'	1170	1087	0.15
16	E'	1170	1087	0.15
17	E'	955	888	0.86
17	E'	955	888	0.86
18	E'	574	534	0.35
18	E'	574	534	0.35
19	E"	1277	1186	0.00
19	E"	1277	1186	0.00
20	E"	1217	1131	0.00
20	E"	1217	1131	0.00
21	E"	1078	1002	0.00
21	E"	1078	1002	0.00
22	E"	843	784	0.00
22	E"	843	784	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.936
C2	0.000	1.232	0.000
C3	1.067	-0.616	0.000
C4	-1.067	-0.616	0.000
C5	0.000	0.000	-0.936
H6	0.000	0.000	2.023
H7	0.000	0.000	-2.023
H8	0.899	1.846	0.000
H9	-0.899	1.846	0.000
H10	1.150	-1.701	0.000
H11	2.048	-0.145	0.000
H12	-2.048	-0.145	0.000
H13	-1.150	-1.701	0.000

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13
C1		1.5475	1.5475	1.5475	1.8727	1.0865	2.9592	2.2569	2.2569	2.2569	2.2569	2.2569	2.2569
C2	1.5475		2.1340	2.1340	1.5475	2.3685	2.3685	1.0885	1.0885	3.1507	2.4682	2.4682	3.1507
C3	1.5475	2.1340		2.1340	1.5475	2.3685	2.3685	2.4682	3.1507	1.0885	1.0885	3.1507	2.4682
C4	1.5475	2.1340	2.1340		1.5475	2.3685	2.3685	3.1507	2.4682	2.4682	3.1507	1.0885	1.0885
C5	1.8727	1.5475	1.5475	1.5475		2.9592	1.0865	2.2569	2.2569	2.2569	2.2569	2.2569	2.2569
H6	1.0865	2.3685	2.3685	2.3685	2.9592		4.0456	2.8825	2.8825	2.8825	2.8825	2.8825	2.8825
H7	2.9592	2.3685	2.3685	2.3685	1.0865	4.0456		2.8825	2.8825	2.8825	2.8825	2.8825	2.8825
H8	2.2569	1.0885	2.4682	3.1507	2.2569	2.8825	2.8825		1.7970	3.5567	2.2997	3.5567	4.0967
H9	2.2569	1.0885	3.1507	2.4682	2.2569	2.8825	2.8825	1.7970		4.0967	3.5567	2.2997	3.5567
H10	2.2569	3.1507	1.0885	2.4682	2.2569	2.8825	2.8825	3.5567	4.0967		1.7970	3.5567	2.2997
H11	2.2569	2.4682	1.0885	3.1507	2.2569	2.8825	2.8825	2.2997	3.5567	1.7970		4.0967	3.5567
H12	2.2569	2.4682	3.1507	1.0885	2.2569	2.8825	2.8825	3.5567	2.2997	3.5567	4.0967		1.7970
H13	2.2569	3.1507	2.4682	1.0885	2.2569	2.8825	2.8825	4.0967	3.5567	2.2997	3.5567	1.7970

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C5	74.468	C1	C2	H8	116.705
C1	C2	H9	116.705	C1	C3	C5	74.468
C1	C3	H10	116.705	C1	C3	H11	116.705
C1	C4	C5	74.468	C1	C4	H12	116.705
C1	C4	H13	116.705	C2	C1	C3	87.182
C2	C1	C4	87.182	C2	C1	H6	127.234
C2	C5	C3	87.182	C2	C5	C4	87.182
C2	C5	H7	127.234	C3	C1	C4	87.182
C3	C1	H6	127.234	C3	C5	C4	87.182
C3	C5	H7	127.234	C4	C1	H6	127.234
C4	C5	H7	127.234	C5	C2	H8	116.705
C5	C2	H9	116.705	C5	C3	H10	116.705
C5	C3	H11	116.705	C5	C4	H12	116.705
C5	C4	H13	116.705	H8	C2	H9	111.272
H10	C3	H11	111.272	H12	C4	H13	111.272

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

using model chemistry: CID/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: CID/6-311G*

States and conformations

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